N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine

C439H304N14O14 — CID 162045931

IUPACN-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine
SMILESCC(C)c1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C(C)C)cc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc21.Cc1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C)cc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc21.Cc1cccc(N(c2c3ccccc3c(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.Cc1cccc(N(c2cc3c4ccccc4ccc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.c1ccc(N(c2c3ccccc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c4ccc(C5CCCCC5)cc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3ccc(C4CCCCC4)cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c4ccccc4ccc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(-c3ccc(N(c4cc5c6ccccc6c(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C74H46N2O2.C66H54N2O2.C60H46N2O2.2C56H38N2O2.C54H34N2O2.C37H25NO.C36H23NO/c1-3-21-53-47(17-1)19-13-29-55(53)49-37-41-51(42-38-49)75(67-33-15-31-63-61-27-9-11-35-71(61)77-73(63)67)69-45-65-58-24-6-8-26-60(58)70(46-66(65)57-23-5-7-25-59(57)69)76(68-34-16-32-64-62-28-10-12-36-72(62)78-74(64)68)52-43-39-50(40-44-52)56-30-14-20-48-18-2-4-22-54(48)56;1-5-19-43(20-6-1)45-35-37-49-55-42-62(68(48-25-11-4-12-26-48)60-32-18-30-54-52-28-14-16-34-64(52)70-66(54)60)58-40-46(44-21-7-2-8-22-44)36-38-50(58)56(55)41-61(57(49)39-45)67(47-23-9-3-10-24-47)59-31-17-29-53-51-27-13-15-33-63(51)69-65(53)59;1-37(2)39-29-31-43-49-36-56(62(42-19-9-6-10-20-42)54-26-16-24-48-46-22-12-14-28-58(46)64-60(48)54)52-34-40(38(3)4)30-32-44(52)50(49)35-55(51(43)33-39)61(41-17-7-5-8-18-41)53-25-15-23-47-45-21-11-13-27-57(45)63-59(47)53;1-35-27-29-39-45-34-52(58(38-17-7-4-8-18-38)50-24-14-22-44-42-20-10-12-26-54(42)60-56(44)50)48-32-36(2)28-30-40(48)46(45)33-51(47(39)31-35)57(37-15-5-3-6-16-37)49-23-13-21-43-41-19-9-11-25-53(41)59-55(43)49;1-35-15-11-19-39(31-35)57(49-27-13-25-45-41-21-7-9-29-51(41)59-55(45)49)53-43-23-5-6-24-44(43)54(48-34-38-18-4-3-17-37(38)33-47(48)53)58(40-20-12-16-36(2)32-40)50-28-14-26-46-42-22-8-10-30-52(42)60-56(46)50;1-3-19-37(20-4-1)55(47-29-15-27-43-39-23-11-13-31-49(39)57-53(43)47)51-41-25-9-10-26-42(41)52(46-34-36-18-8-7-17-35(36)33-45(46)51)56(38-21-5-2-6-22-38)48-30-16-28-44-40-24-12-14-32-50(40)58-54(44)48;1-24-10-8-12-26(22-24)38(34-18-9-17-32-31-16-6-7-19-36(31)39-37(32)34)35-23-33-27-13-3-2-11-25(27)20-21-29(33)28-14-4-5-15-30(28)35;1-2-12-25(13-3-1)37(33-19-10-18-31-30-17-8-9-20-35(30)38-36(31)33)34-23-32-26-14-5-4-11-24(26)21-22-28(32)27-15-6-7-16-29(27)34/h1-46H;3-4,9-18,23-44H,1-2,5-8,19-22H2;5-38H,1-4H3;2*3-34H,1-2H3;1-34H;2-23H,1H3;1-23H
InChIKeyYXWQRCDLFHXVOB-UHFFFAOYSA-N
MW5999.35 g/mol
LogP129.86
Rot. Bonds48

About N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine

N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine (PubChem CID 162045931) has the molecular formula C439H304N14O14 and a molecular weight of 5999.35 g/mol. Its IUPAC name is N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine.

Molecular Properties

Compound NameN-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine
PubChem CID162045931
Molecular FormulaC439H304N14O14
Molecular Weight5999.35 g/mol
Exact Mass5994.35
IUPAC NameN-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine
SMILESCC(C)c1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C(C)C)cc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc21.Cc1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C)cc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc21.Cc1cccc(N(c2c3ccccc3c(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.Cc1cccc(N(c2cc3c4ccccc4ccc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.c1ccc(N(c2c3ccccc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c4ccc(C5CCCCC5)cc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3ccc(C4CCCCC4)cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c4ccccc4ccc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(-c3ccc(N(c4cc5c6ccccc6c(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C74H46N2O2.C66H54N2O2.C60H46N2O2.2C56H38N2O2.C54H34N2O2.C37H25NO.C36H23NO/c1-3-21-53-47(17-1)19-13-29-55(53)49-37-41-51(42-38-49)75(67-33-15-31-63-61-27-9-11-35-71(61)77-73(63)67)69-45-65-58-24-6-8-26-60(58)70(46-66(65)57-23-5-7-25-59(57)69)76(68-34-16-32-64-62-28-10-12-36-72(62)78-74(64)68)52-43-39-50(40-44-52)56-30-14-20-48-18-2-4-22-54(48)56;1-5-19-43(20-6-1)45-35-37-49-55-42-62(68(48-25-11-4-12-26-48)60-32-18-30-54-52-28-14-16-34-64(52)70-66(54)60)58-40-46(44-21-7-2-8-22-44)36-38-50(58)56(55)41-61(57(49)39-45)67(47-23-9-3-10-24-47)59-31-17-29-53-51-27-13-15-33-63(51)69-65(53)59;1-37(2)39-29-31-43-49-36-56(62(42-19-9-6-10-20-42)54-26-16-24-48-46-22-12-14-28-58(46)64-60(48)54)52-34-40(38(3)4)30-32-44(52)50(49)35-55(51(43)33-39)61(41-17-7-5-8-18-41)53-25-15-23-47-45-21-11-13-27-57(45)63-59(47)53;1-35-27-29-39-45-34-52(58(38-17-7-4-8-18-38)50-24-14-22-44-42-20-10-12-26-54(42)60-56(44)50)48-32-36(2)28-30-40(48)46(45)33-51(47(39)31-35)57(37-15-5-3-6-16-37)49-23-13-21-43-41-19-9-11-25-53(41)59-55(43)49;1-35-15-11-19-39(31-35)57(49-27-13-25-45-41-21-7-9-29-51(41)59-55(45)49)53-43-23-5-6-24-44(43)54(48-34-38-18-4-3-17-37(38)33-47(48)53)58(40-20-12-16-36(2)32-40)50-28-14-26-46-42-22-8-10-30-52(42)60-56(46)50;1-3-19-37(20-4-1)55(47-29-15-27-43-39-23-11-13-31-49(39)57-53(43)47)51-41-25-9-10-26-42(41)52(46-34-36-18-8-7-17-35(36)33-45(46)51)56(38-21-5-2-6-22-38)48-30-16-28-44-40-24-12-14-32-50(40)58-54(44)48;1-24-10-8-12-26(22-24)38(34-18-9-17-32-31-16-6-7-19-36(31)39-37(32)34)35-23-33-27-13-3-2-11-25(27)20-21-29(33)28-14-4-5-15-30(28)35;1-2-12-25(13-3-1)37(33-19-10-18-31-30-17-8-9-20-35(30)38-36(31)33)34-23-32-26-14-5-4-11-24(26)21-22-28(32)27-15-6-7-16-29(27)34/h1-46H;3-4,9-18,23-44H,1-2,5-8,19-22H2;5-38H,1-4H3;2*3-34H,1-2H3;1-34H;2-23H,1H3;1-23H
InChIKeyYXWQRCDLFHXVOB-UHFFFAOYSA-N
XLogP129.86
TPSA229.32 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds48
Heavy Atoms467
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005999.35
LogP ≤ 5129.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine?
The IUPAC name of N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine (CID 162045931) is N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine.
What is the SMILES notation for N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine?
The canonical SMILES for N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine is CC(C)c1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C(C)C)cc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc21.Cc1ccc2c(c1)c(N(c1ccccc1)c1cccc3c1oc1ccccc13)cc1c3ccc(C)cc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc21.Cc1cccc(N(c2c3ccccc3c(N(c3cccc(C)c3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)c1.Cc1cccc(N(c2cc3c4ccccc4ccc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.c1ccc(N(c2c3ccccc3c(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3cc4ccccc4cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c4ccc(C5CCCCC5)cc4c(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3c3ccc(C4CCCCC4)cc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c4ccccc4ccc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(-c3ccc(N(c4cc5c6ccccc6c(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc45)c4cccc5c4oc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine?
The InChIKey is YXWQRCDLFHXVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2O2.C66H54N2O2.C60H46N2O2.2C56H38N2O2.C54H34N2O2.C37H25NO.C36H23NO/c1-3-21-53-47(17-1)19-13-29-55(53)49-37-41-51(42-38-49)75(67-33-15-31-63-61-27-9-11-35-71(61)77-73(63)67)69-45-65-58-24-6-8-26-60(58)70(46-66(65)57-23-5-7-25-59(57)69)76(68-34-16-32-64-62-28-10-12-36-72(62)78-74(64)68)52-43-39-50(40-44-52)56-30-14-20-48-18-2-4-22-54(48)56;1-5-19-43(20-6-1)45-35-37-49-55-42-62(68(48-25-11-4-12-26-48)60-32-18-30-54-52-28-14-16-34-64(52)70-66(54)60)58-40-46(44-21-7-2-8-22-44)36-38-50(58)56(55)41-61(57(49)39-45)67(47-23-9-3-10-24-47)59-31-17-29-53-51-27-13-15-33-63(51)69-65(53)59;1-37(2)39-29-31-43-49-36-56(62(42-19-9-6-10-20-42)54-26-16-24-48-46-22-12-14-28-58(46)64-60(48)54)52-34-40(38(3)4)30-32-44(52)50(49)35-55(51(43)33-39)61(41-17-7-5-8-18-41)53-25-15-23-47-45-21-11-13-27-57(45)63-59(47)53;1-35-27-29-39-45-34-52(58(38-17-7-4-8-18-38)50-24-14-22-44-42-20-10-12-26-54(42)60-56(44)50)48-32-36(2)28-30-40(48)46(45)33-51(47(39)31-35)57(37-15-5-3-6-16-37)49-23-13-21-43-41-19-9-11-25-53(41)59-55(43)49;1-35-15-11-19-39(31-35)57(49-27-13-25-45-41-21-7-9-29-51(41)59-55(45)49)53-43-23-5-6-24-44(43)54(48-34-38-18-4-3-17-37(38)33-47(48)53)58(40-20-12-16-36(2)32-40)50-28-14-26-46-42-22-8-10-30-52(42)60-56(46)50;1-3-19-37(20-4-1)55(47-29-15-27-43-39-23-11-13-31-49(39)57-53(43)47)51-41-25-9-10-26-42(41)52(46-34-36-18-8-7-17-35(36)33-45(46)51)56(38-21-5-2-6-22-38)48-30-16-28-44-40-24-12-14-32-50(40)58-54(44)48;1-24-10-8-12-26(22-24)38(34-18-9-17-32-31-16-6-7-19-36(31)39-37(32)34)35-23-33-27-13-3-2-11-25(27)20-21-29(33)28-14-4-5-15-30(28)35;1-2-12-25(13-3-1)37(33-19-10-18-31-30-17-8-9-20-35(30)38-36(31)33)34-23-32-26-14-5-4-11-24(26)21-22-28(32)27-15-6-7-16-29(27)34/h1-46H;3-4,9-18,23-44H,1-2,5-8,19-22H2;5-38H,1-4H3;2*3-34H,1-2H3;1-34H;2-23H,1H3;1-23H.
What are the key properties of N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine?
N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine has a molecular weight of 5999.35 g/mol, XLogP of 129.86, 48 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-6-yl-N-(3-methylphenyl)dibenzofuran-4-amine;N-chrysen-6-yl-N-phenyldibenzofuran-4-amine;2,8-dicyclohexyl-6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-bis(3-methylphenyl)tetracene-5,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-diphenyl-2,8-di(propan-2-yl)chrysene-6,12-diamine;5-N,12-N-di(dibenzofuran-4-yl)-5-N,12-N-diphenyltetracene-5,12-diamine is sourced from PubChem (CID 162045931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).