N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C328H198N8O8 — CID 159200183

IUPACN-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc34)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)c2cc3ccccc3c3c2oc2ccc4ccccc4c23)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)c2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5oc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)c3ccccc23)c2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1
InChIInChI=1S/C88H54N2O2.3C80H48N2O2/c1-3-21-55(22-4-1)57-39-45-62(46-40-57)89(77-54-81-85(70-34-16-15-33-69(70)77)83-64-28-10-7-25-59(64)43-51-79(83)91-81)76-50-49-73(67-31-13-14-32-68(67)76)82-71-35-17-19-37-74(71)87(75-38-20-18-36-72(75)82)90(63-47-41-58(42-48-63)56-23-5-2-6-24-56)78-53-61-27-9-12-30-66(61)86-84-65-29-11-8-26-60(65)44-52-80(84)92-88(78)86;1-3-27-53(28-4-1)81(67-47-51-25-9-13-33-57(51)75-73-55-31-11-7-23-49(55)43-45-69(73)83-79(67)75)77-63-39-19-15-35-59(63)71(60-36-16-20-40-64(60)77)72-61-37-17-21-41-65(61)78(66-42-22-18-38-62(66)72)82(54-29-5-2-6-30-54)68-48-52-26-10-14-34-58(52)76-74-56-32-12-8-24-50(56)44-46-70(74)84-80(68)76;1-3-26-52(27-4-1)81(67-48-71-76(58-34-14-13-33-57(58)67)74-54-30-10-7-23-49(54)43-45-69(74)83-71)78-63-39-19-15-35-59(63)72(60-36-16-20-40-64(60)78)73-61-37-17-21-41-65(61)79(66-42-22-18-38-62(66)73)82(53-28-5-2-6-29-53)68-47-51-25-9-12-32-56(51)77-75-55-31-11-8-24-50(55)44-46-70(75)84-80(68)77;1-3-25-51(26-4-1)81(67-47-71-77(57-33-13-11-31-55(57)67)75-53-29-9-7-23-49(53)43-45-69(75)83-71)79-63-39-19-15-35-59(63)73(60-36-16-20-40-64(60)79)74-61-37-17-21-41-65(61)80(66-42-22-18-38-62(66)74)82(52-27-5-2-6-28-52)68-48-72-78(58-34-14-12-32-56(58)68)76-54-30-10-8-24-50(54)44-46-70(76)84-72/h1-54H;3*1-48H
InChIKeyKPELXLMCPOXKBO-UHFFFAOYSA-N
MW4379.24 g/mol
LogP95.45
Rot. Bonds30

About N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 159200183) has the molecular formula C328H198N8O8 and a molecular weight of 4379.24 g/mol. Its IUPAC name is N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

Compound NameN-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
PubChem CID159200183
Molecular FormulaC328H198N8O8
Molecular Weight4379.24 g/mol
Exact Mass4375.53
IUPAC NameN-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc34)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)c2cc3ccccc3c3c2oc2ccc4ccccc4c23)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)c2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5oc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)c3ccccc23)c2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1
InChIInChI=1S/C88H54N2O2.3C80H48N2O2/c1-3-21-55(22-4-1)57-39-45-62(46-40-57)89(77-54-81-85(70-34-16-15-33-69(70)77)83-64-28-10-7-25-59(64)43-51-79(83)91-81)76-50-49-73(67-31-13-14-32-68(67)76)82-71-35-17-19-37-74(71)87(75-38-20-18-36-72(75)82)90(63-47-41-58(42-48-63)56-23-5-2-6-24-56)78-53-61-27-9-12-30-66(61)86-84-65-29-11-8-26-60(65)44-52-80(84)92-88(78)86;1-3-27-53(28-4-1)81(67-47-51-25-9-13-33-57(51)75-73-55-31-11-7-23-49(55)43-45-69(73)83-79(67)75)77-63-39-19-15-35-59(63)71(60-36-16-20-40-64(60)77)72-61-37-17-21-41-65(61)78(66-42-22-18-38-62(66)72)82(54-29-5-2-6-30-54)68-48-52-26-10-14-34-58(52)76-74-56-32-12-8-24-50(56)44-46-70(74)84-80(68)76;1-3-26-52(27-4-1)81(67-48-71-76(58-34-14-13-33-57(58)67)74-54-30-10-7-23-49(54)43-45-69(74)83-71)78-63-39-19-15-35-59(63)72(60-36-16-20-40-64(60)78)73-61-37-17-21-41-65(61)79(66-42-22-18-38-62(66)73)82(53-28-5-2-6-29-53)68-47-51-25-9-12-32-56(51)77-75-55-31-11-8-24-50(55)44-46-70(75)84-80(68)77;1-3-25-51(26-4-1)81(67-47-71-77(57-33-13-11-31-55(57)67)75-53-29-9-7-23-49(53)43-45-69(75)83-71)79-63-39-19-15-35-59(63)73(60-36-16-20-40-64(60)79)74-61-37-17-21-41-65(61)80(66-42-22-18-38-62(66)74)82(52-27-5-2-6-28-52)68-48-72-78(58-34-14-12-32-56(58)68)76-54-30-10-8-24-50(54)44-46-70(76)84-72/h1-54H;3*1-48H
InChIKeyKPELXLMCPOXKBO-UHFFFAOYSA-N
XLogP95.45
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms344
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004379.24
LogP ≤ 595.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The IUPAC name of N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 159200183) is N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.
What is the SMILES notation for N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The canonical SMILES for N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c5ccccc45)c4ccccc34)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)c2cc3ccccc3c3c2oc2ccc4ccccc4c23)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5ccccc5c5c4oc4ccc6ccccc6c45)c4ccccc34)c3ccccc23)c2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1.c1ccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cc5oc6ccc7ccccc7c6c5c5ccccc45)c4ccccc34)c3ccccc23)c2cc3oc4ccc5ccccc5c4c3c3ccccc23)cc1.
What is the InChIKey of N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The InChIKey is KPELXLMCPOXKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54N2O2.3C80H48N2O2/c1-3-21-55(22-4-1)57-39-45-62(46-40-57)89(77-54-81-85(70-34-16-15-33-69(70)77)83-64-28-10-7-25-59(64)43-51-79(83)91-81)76-50-49-73(67-31-13-14-32-68(67)76)82-71-35-17-19-37-74(71)87(75-38-20-18-36-72(75)82)90(63-47-41-58(42-48-63)56-23-5-2-6-24-56)78-53-61-27-9-12-30-66(61)86-84-65-29-11-8-26-60(65)44-52-80(84)92-88(78)86;1-3-27-53(28-4-1)81(67-47-51-25-9-13-33-57(51)75-73-55-31-11-7-23-49(55)43-45-69(73)83-79(67)75)77-63-39-19-15-35-59(63)71(60-36-16-20-40-64(60)77)72-61-37-17-21-41-65(61)78(66-42-22-18-38-62(66)72)82(54-29-5-2-6-30-54)68-48-52-26-10-14-34-58(52)76-74-56-32-12-8-24-50(56)44-46-70(74)84-80(68)76;1-3-26-52(27-4-1)81(67-48-71-76(58-34-14-13-33-57(58)67)74-54-30-10-7-23-49(54)43-45-69(74)83-71)78-63-39-19-15-35-59(63)72(60-36-16-20-40-64(60)78)73-61-37-17-21-41-65(61)79(66-42-22-18-38-62(66)73)82(53-28-5-2-6-29-53)68-47-51-25-9-12-32-56(51)77-75-55-31-11-8-24-50(55)44-46-70(75)84-80(68)77;1-3-25-51(26-4-1)81(67-47-71-77(57-33-13-11-31-55(57)67)75-53-29-9-7-23-49(53)43-45-69(75)83-71)79-63-39-19-15-35-59(63)73(60-36-16-20-40-64(60)79)74-61-37-17-21-41-65(61)80(66-42-22-18-38-62(66)74)82(52-27-5-2-6-28-52)68-48-72-78(58-34-14-12-32-56(58)68)76-54-30-10-8-24-50(54)44-46-70(76)84-72/h1-54H;3*1-48H.
What are the key properties of N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 4379.24 g/mol, XLogP of 95.45, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-[10-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anilino]anthracen-9-yl]anthracen-9-yl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine;N-[4-[10-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-4-phenylanilino]anthracen-9-yl]naphthalen-1-yl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 159200183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).