N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)

C264H191N13 — CID 158961985

About N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)

N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline) (PubChem CID 158961985) has the molecular formula C264H191N13 and a molecular weight of 3545.52 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline).

Molecular Properties

• Compound Name: N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)
• PubChem CID: 158961985
• Molecular Formula: C264H191N13
• Molecular Weight: 3545.52 g/mol
• Exact Mass: 3542.53
• IUPAC Name: N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)
• SMILES: CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.N#CC(C#N)=Cc1ccc2c3c(-c4ccccc4)c4c5cccc6c(N7CCCCC7)ccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(N(c2ccccc2)c2ccc3c4c(N(c5ccccc5)c5ccccc5)c5c6cccc7cccc(c5c(N(c5ccccc5)c5ccccc5)c4c4cccc2c43)c76)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c(N(c5ccccc5)c5ccccc5)c5c6cccc7cccc(c5c(N(c5ccccc5)c5ccccc5)c4c4cccc2c43)c76)cc1
• InChI: InChI=1S/2C62H41N3.C52H35N.C47H31N3.C15H17N.2C13H13N/c2*1-7-24-43(25-8-1)63(44-26-9-2-10-27-44)54-41-40-53-56-49(54)36-21-39-52(56)59-60(53)62(65(47-32-15-5-16-33-47)48-34-17-6-18-35-48)58-51-38-20-23-42-22-19-37-50(55(42)51)57(58)61(59)64(45-28-11-3-12-29-45)46-30-13-4-14-31-46;1-32-22-26-37(27-23-32)53(38-28-24-33(2)25-29-38)44-31-30-43-48-39(44)18-11-21-42(48)51-46(35-12-5-3-6-13-35)49-40-19-9-16-34-17-10-20-41(45(34)40)50(49)47(52(43)51)36-14-7-4-8-15-36;48-27-29(28-49)26-32-20-21-37-42-33(32)16-10-18-35(42)44-40(30-12-4-1-5-13-30)47-38-22-23-39(50-24-8-3-9-25-50)34-17-11-19-36(43(34)38)45(47)41(46(37)44)31-14-6-2-7-15-31;1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2*1-41H;3-31H,1-2H3;1-2,4-7,10-23,26H,3,8-9,24-25H2;4-11H,1-3H3;2*2-11H,1H3
• InChIKey: JMSSVNBLSYUFPB-UHFFFAOYSA-N
• XLogP: 73.90
• TPSA: 83.22 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 33
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3545.52
LogP ≤ 5	73.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)?

The IUPAC name of N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline) (CID 158961985) is N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline).

What is the SMILES notation for N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)?

The canonical SMILES for N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline) is CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.N#CC(C#N)=Cc1ccc2c3c(-c4ccccc4)c4c5cccc6c(N7CCCCC7)ccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(N(c2ccccc2)c2ccc3c4c(N(c5ccccc5)c5ccccc5)c5c6cccc7cccc(c5c(N(c5ccccc5)c5ccccc5)c4c4cccc2c43)c76)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c(N(c5ccccc5)c5ccccc5)c5c6cccc7cccc(c5c(N(c5ccccc5)c5ccccc5)c4c4cccc2c43)c76)cc1.

What is the InChIKey of N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)?

The InChIKey is JMSSVNBLSYUFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H41N3.C52H35N.C47H31N3.C15H17N.2C13H13N/c2*1-7-24-43(25-8-1)63(44-26-9-2-10-27-44)54-41-40-53-56-49(54)36-21-39-52(56)59-60(53)62(65(47-32-15-5-16-33-47)48-34-17-6-18-35-48)58-51-38-20-23-42-22-19-37-50(55(42)51)57(58)61(59)64(45-28-11-3-12-29-45)46-30-13-4-14-31-46;1-32-22-26-37(27-23-32)53(38-28-24-33(2)25-29-38)44-31-30-43-48-39(44)18-11-21-42(48)51-46(35-12-5-3-6-13-35)49-40-19-9-16-34-17-10-20-41(45(34)40)50(49)47(52(43)51)36-14-7-4-8-15-36;48-27-29(28-49)26-32-20-21-37-42-33(32)16-10-18-35(42)44-40(30-12-4-1-5-13-30)47-38-22-23-39(50-24-8-3-9-25-50)34-17-11-19-36(43(34)38)45(47)41(46(37)44)31-14-6-2-7-15-31;1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2*1-41H;3-31H,1-2H3;1-2,4-7,10-23,26H,3,8-9,24-25H2;4-11H,1-3H3;2*2-11H,1H3.

What are the key properties of N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline)?

N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline) has a molecular weight of 3545.52 g/mol, XLogP of 73.90, 33 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine;N,4-dimethyl-N-(4-methylphenyl)aniline;2-[(3,15-diphenyl-20-piperidin-1-yl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaenyl)methylidene]propanedinitrile;bis(3-N,3-N,8-N,8-N,15-N,15-N-hexakis-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene-3,8,15-triamine);bis(N-methyl-N-phenylaniline) is sourced from PubChem (CID 158961985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).