3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine

C302H220N14 — CID 159961914

About 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine

3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine (PubChem CID 159961914) has the molecular formula C302H220N14 and a molecular weight of 4045.18 g/mol. Its IUPAC name is 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine.

Molecular Properties

• Compound Name: 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
• PubChem CID: 159961914
• Molecular Formula: C302H220N14
• Molecular Weight: 4045.18 g/mol
• Exact Mass: 4041.76
• IUPAC Name: 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
• SMILES: CC1(C)c2cc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4ccccc34)cc3ccc4cc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)cc1c4c23.Cc1cccc(N(c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc(c65)C4(c4ccccc4)c4ccccc4)c3)cc2)c2cccc(C)c2)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(ccc6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc(c65)C45c4ccccc4-c4ccccc45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(c65)C4(c4ccccc4)c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C79H62N4.C75H54N4.C75H50N2.C73H54N4/c1-55-21-17-33-69(47-55)82(70-34-18-22-56(2)48-70)67-43-39-65(40-44-67)80(63-29-13-7-14-30-63)73-51-59-37-38-60-52-74(54-76-78(60)77(59)75(53-73)79(76,61-25-9-5-10-26-61)62-27-11-6-12-28-62)81(64-31-15-8-16-32-64)66-41-45-68(46-42-66)83(71-35-19-23-57(3)49-71)72-36-20-24-58(4)50-72;1-9-25-57(26-10-1)75(58-27-11-2-12-28-58)71-53-69(78(63-37-21-7-22-38-63)67-47-43-65(44-48-67)76(59-29-13-3-14-30-59)60-31-15-4-16-32-60)51-55-41-42-56-52-70(54-72(75)74(56)73(55)71)79(64-39-23-8-24-40-64)68-49-45-66(46-50-68)77(61-33-17-5-18-34-61)62-35-19-6-20-36-62;1-5-17-51(18-6-1)55-31-39-61(40-32-55)76(62-41-33-56(34-42-62)52-19-7-2-8-20-52)65-47-59-29-30-60-48-66(50-72-74(60)73(59)71(49-65)75(72)69-27-15-13-25-67(69)68-26-14-16-28-70(68)75)77(63-43-35-57(36-44-63)53-21-9-3-10-22-53)64-45-37-58(38-46-64)54-23-11-4-12-24-54;1-73(2)67-49-63(76(69-35-19-23-51-21-15-17-33-65(51)69)61-43-39-59(40-44-61)74(55-25-7-3-8-26-55)56-27-9-4-10-28-56)47-53-37-38-54-48-64(50-68(73)72(54)71(53)67)77(70-36-20-24-52-22-16-18-34-66(52)70)62-45-41-60(42-46-62)75(57-29-11-5-12-30-57)58-31-13-6-14-32-58/h5-54H,1-4H3;1-54H;1-50H;3-50H,1-2H3
• InChIKey: ODLCQTSAOVJRLB-UHFFFAOYSA-N
• XLogP: 83.47
• TPSA: 45.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 50
• Heavy Atoms: 316
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4045.18
LogP ≤ 5	83.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?

The IUPAC name of 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine (CID 159961914) is 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine.

What is the SMILES notation for 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?

The canonical SMILES for 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine is CC1(C)c2cc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4ccccc34)cc3ccc4cc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)cc1c4c23.Cc1cccc(N(c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc(c65)C4(c4ccccc4)c4ccccc4)c3)cc2)c2cccc(C)c2)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(ccc6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc(c65)C45c4ccccc4-c4ccccc45)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(N(c7ccccc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(c65)C4(c4ccccc4)c4ccccc4)c3)cc2)cc1.

What is the InChIKey of 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?

The InChIKey is ODLCQTSAOVJRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H62N4.C75H54N4.C75H50N2.C73H54N4/c1-55-21-17-33-69(47-55)82(70-34-18-22-56(2)48-70)67-43-39-65(40-44-67)80(63-29-13-7-14-30-63)73-51-59-37-38-60-52-74(54-76-78(60)77(59)75(53-73)79(76,61-25-9-5-10-26-61)62-27-11-6-12-28-62)81(64-31-15-8-16-32-64)66-41-45-68(46-42-66)83(71-35-19-23-57(3)49-71)72-36-20-24-58(4)50-72;1-9-25-57(26-10-1)75(58-27-11-2-12-28-58)71-53-69(78(63-37-21-7-22-38-63)67-47-43-65(44-48-67)76(59-29-13-3-14-30-59)60-31-15-4-16-32-60)51-55-41-42-56-52-70(54-72(75)74(56)73(55)71)79(64-39-23-8-24-40-64)68-49-45-66(46-50-68)77(61-33-17-5-18-34-61)62-35-19-6-20-36-62;1-5-17-51(18-6-1)55-31-39-61(40-32-55)76(62-41-33-56(34-42-62)52-19-7-2-8-20-52)65-47-59-29-30-60-48-66(50-72-74(60)73(59)71(49-65)75(72)69-27-15-13-25-67(69)68-26-14-16-28-70(68)75)77(63-43-35-57(36-44-63)53-21-9-3-10-22-53)64-45-37-58(38-46-64)54-23-11-4-12-24-54;1-73(2)67-49-63(76(69-35-19-23-51-21-15-17-33-65(51)69)61-43-39-59(40-44-61)74(55-25-7-3-8-26-55)56-27-9-4-10-28-56)47-53-37-38-54-48-64(50-68(73)72(54)71(53)67)77(70-36-20-24-52-22-16-18-34-66(52)70)62-45-41-60(42-46-62)75(57-29-11-5-12-30-57)58-31-13-6-14-32-58/h5-54H,1-4H3;1-54H;1-50H;3-50H,1-2H3.

What are the key properties of 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine?

3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine has a molecular weight of 4045.18 g/mol, XLogP of 83.47, 50 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine is sourced from PubChem (CID 159961914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).