8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile

C56H38N4O — CID 121401522

IUPAC8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(C#N)c5c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)c7cccc(c5c(C#N)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C56H38N4O/c1-33-11-17-36(18-12-33)59(37-19-13-34(2)14-20-37)49-29-27-45-51-41(49)7-5-9-43(51)53-47(31-57)54-44-10-6-8-42-50(30-28-46(52(42)44)56(54)48(32-58)55(45)53)60(38-21-15-35(3)16-22-38)39-23-25-40(61-4)26-24-39/h5-30H,1-4H3
InChIKeyDDKVBPNOURLOML-UHFFFAOYSA-N
MW782.95 g/mol
LogP15.10
Rot. Bonds7

About 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile

8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile (PubChem CID 121401522) has the molecular formula C56H38N4O and a molecular weight of 782.95 g/mol. Its IUPAC name is 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile.

Molecular Properties

Compound Name8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile
PubChem CID121401522
Molecular FormulaC56H38N4O
Molecular Weight782.95 g/mol
Exact Mass782.30
IUPAC Name8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(C#N)c5c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)c7cccc(c5c(C#N)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C56H38N4O/c1-33-11-17-36(18-12-33)59(37-19-13-34(2)14-20-37)49-29-27-45-51-41(49)7-5-9-43(51)53-47(31-57)54-44-10-6-8-42-50(30-28-46(52(42)44)56(54)48(32-58)55(45)53)60(38-21-15-35(3)16-22-38)39-23-25-40(61-4)26-24-39/h5-30H,1-4H3
InChIKeyDDKVBPNOURLOML-UHFFFAOYSA-N
XLogP15.10
TPSA63.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.95
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile with MolForge

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Related Compounds

8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
8,20-bis(N-phenylanilino)heptacyclo[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(25),18,20,22-tridecaene-3,15-dicarbonitrile
CID 143477489
4-(N-[3,15-bis(4-methoxyphenyl)-8-decacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21,23,25(35),26,28,30-octadecaenyl]-4-cyanoanilino)benzonitrile
CID 170381152
[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium
CID 142208301
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
8-N,8-N,20-N,20-N-tetrakis(4-methylphenyl)-3,15-diazaheptacyclo[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-tridecaene-8,20-diamine
CID 143438485
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
2,6-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372318
8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890448
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
3,15-bis(4-methoxyphenyl)-20-trimethylsilyl-N,N-bis(4-trimethylsilylphenyl)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-tridecaen-8-amine
CID 142700188

Frequently Asked Questions

What is the IUPAC name of 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile?
The IUPAC name of 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile (CID 121401522) is 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile.
What is the SMILES notation for 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile?
The canonical SMILES for 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile is COc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(C#N)c5c6ccc(N(c7ccc(C)cc7)c7ccc(C)cc7)c7cccc(c5c(C#N)c4c4cccc2c43)c76)cc1.
What is the InChIKey of 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile?
The InChIKey is DDKVBPNOURLOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4O/c1-33-11-17-36(18-12-33)59(37-19-13-34(2)14-20-37)49-29-27-45-51-41(49)7-5-9-43(51)53-47(31-57)54-44-10-6-8-42-50(30-28-46(52(42)44)56(54)48(32-58)55(45)53)60(38-21-15-35(3)16-22-38)39-23-25-40(61-4)26-24-39/h5-30H,1-4H3.
What are the key properties of 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile?
8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile has a molecular weight of 782.95 g/mol, XLogP of 15.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(N-(4-methoxyphenyl)-4-methylanilino)-22-(4-methyl-N-(4-methylphenyl)anilino)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-3,15-dicarbonitrile is sourced from PubChem (CID 121401522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).