14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine

C145H112N8O — CID 158022168

IUPAC14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccc2c4cccc5c(N6c7ccccc7C(C)(C)c7cc(-c8cccnc8)ccc76)ccc(c6cccc1c62)c54)c1ccc(-c2cccnc2)cc1C3(C)C.Cc1ccc2c(N3c4ccc(N(c5ccccc5)c5ccccc5)cc4C(C)(C)c4cc5c(cc43)C(C)(C)c3ccccc3-5)c3cc(C)ccc3c(N3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)ccc43)c2c1
InChIInChI=1S/C76H60N4O.C69H52N4/c1-49-36-40-59-61(43-49)73(58-39-35-50(2)44-62(58)74(59)80-68-33-21-22-34-71(68)81-72-46-56(38-42-69(72)80)78(53-27-15-9-16-28-53)54-29-17-10-18-30-54)79-67-41-37-55(77(51-23-11-7-12-24-51)52-25-13-8-14-26-52)45-65(67)76(5,6)66-47-60-57-31-19-20-32-63(57)75(3,4)64(60)48-70(66)79;1-67(2)53-22-8-7-17-45(53)52-37-58-64(38-55(52)67)73(63-30-26-42(36-57(63)69(58,5)6)44-16-14-34-71-40-44)60-32-28-49-46-18-11-20-50-59(31-27-48(65(46)50)47-19-12-21-51(60)66(47)49)72-61-24-10-9-23-54(61)68(3,4)56-35-41(25-29-62(56)72)43-15-13-33-70-39-43/h7-48H,1-6H3;7-40H,1-6H3
InChIKeyFGEMROOKYMCSHF-UHFFFAOYSA-N
MW1982.55 g/mol
LogP39.93
Rot. Bonds12

About 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine

14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine (PubChem CID 158022168) has the molecular formula C145H112N8O and a molecular weight of 1982.55 g/mol. Its IUPAC name is 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine.

Molecular Properties

Compound Name14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine
PubChem CID158022168
Molecular FormulaC145H112N8O
Molecular Weight1982.55 g/mol
Exact Mass1980.90
IUPAC Name14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccc2c4cccc5c(N6c7ccccc7C(C)(C)c7cc(-c8cccnc8)ccc76)ccc(c6cccc1c62)c54)c1ccc(-c2cccnc2)cc1C3(C)C.Cc1ccc2c(N3c4ccc(N(c5ccccc5)c5ccccc5)cc4C(C)(C)c4cc5c(cc43)C(C)(C)c3ccccc3-5)c3cc(C)ccc3c(N3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)ccc43)c2c1
InChIInChI=1S/C76H60N4O.C69H52N4/c1-49-36-40-59-61(43-49)73(58-39-35-50(2)44-62(58)74(59)80-68-33-21-22-34-71(68)81-72-46-56(38-42-69(72)80)78(53-27-15-9-16-28-53)54-29-17-10-18-30-54)79-67-41-37-55(77(51-23-11-7-12-24-51)52-25-13-8-14-26-52)45-65(67)76(5,6)66-47-60-57-31-19-20-32-63(57)75(3,4)64(60)48-70(66)79;1-67(2)53-22-8-7-17-45(53)52-37-58-64(38-55(52)67)73(63-30-26-42(36-57(63)69(58,5)6)44-16-14-34-71-40-44)60-32-28-49-46-18-11-20-50-59(31-27-48(65(46)50)47-19-12-21-51(60)66(47)49)72-61-24-10-9-23-54(61)68(3,4)56-35-41(25-29-62(56)72)43-15-13-33-70-39-43/h7-48H,1-6H3;7-40H,1-6H3
InChIKeyFGEMROOKYMCSHF-UHFFFAOYSA-N
XLogP39.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001982.55
LogP ≤ 539.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine?
The IUPAC name of 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine (CID 158022168) is 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine.
What is the SMILES notation for 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine?
The canonical SMILES for 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine is CC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccc2c4cccc5c(N6c7ccccc7C(C)(C)c7cc(-c8cccnc8)ccc76)ccc(c6cccc1c62)c54)c1ccc(-c2cccnc2)cc1C3(C)C.Cc1ccc2c(N3c4ccc(N(c5ccccc5)c5ccccc5)cc4C(C)(C)c4cc5c(cc43)C(C)(C)c3ccccc3-5)c3cc(C)ccc3c(N3c4ccccc4Oc4cc(N(c5ccccc5)c5ccccc5)ccc43)c2c1.
What is the InChIKey of 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine?
The InChIKey is FGEMROOKYMCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H60N4O.C69H52N4/c1-49-36-40-59-61(43-49)73(58-39-35-50(2)44-62(58)74(59)80-68-33-21-22-34-71(68)81-72-46-56(38-42-69(72)80)78(53-27-15-9-16-28-53)54-29-17-10-18-30-54)79-67-41-37-55(77(51-23-11-7-12-24-51)52-25-13-8-14-26-52)45-65(67)76(5,6)66-47-60-57-31-19-20-32-63(57)75(3,4)64(60)48-70(66)79;1-67(2)53-22-8-7-17-45(53)52-37-58-64(38-55(52)67)73(63-30-26-42(36-57(63)69(58,5)6)44-16-14-34-71-40-44)60-32-28-49-46-18-11-20-50-59(31-27-48(65(46)50)47-19-12-21-51(60)66(47)49)72-61-24-10-9-23-54(61)68(3,4)56-35-41(25-29-62(56)72)43-15-13-33-70-39-43/h7-48H,1-6H3;7-40H,1-6H3.
What are the key properties of 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine?
14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine has a molecular weight of 1982.55 g/mol, XLogP of 39.93, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[9-(9,9-dimethyl-2-pyridin-3-ylacridin-10-yl)perylen-3-yl]-10,10,21,21-tetramethyl-18-pyridin-3-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene;10-[2,6-dimethyl-10-[10,10,21,21-tetramethyl-18-(N-phenylanilino)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]anthracen-9-yl]-N,N-diphenylphenoxazin-3-amine is sourced from PubChem (CID 158022168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).