(10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine

C63H45N3 — CID 118188059

About (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine

(10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine (PubChem CID 118188059) has the molecular formula C63H45N3 and a molecular weight of 844.07 g/mol. Its IUPAC name is (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine.

Molecular Properties

• Compound Name: (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine
• PubChem CID: 118188059
• Molecular Formula: C63H45N3
• Molecular Weight: 844.07 g/mol
• Exact Mass: 843.36
• IUPAC Name: (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine
• SMILES: C=C/C=c1\c(=C)n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc1c32
• InChI: InChI=1S/C63H45N3/c1-5-14-49-40(2)64-59-20-11-9-18-54(59)56-39-48(38-55(49)62(56)64)65(46-32-27-43(28-33-46)44-29-36-51-50-15-6-10-19-57(50)63(3,4)58(51)37-44)45-30-23-41(24-31-45)42-25-34-47(35-26-42)66-60-21-12-7-16-52(60)53-17-8-13-22-61(53)66/h5-39H,1-2H2,3-4H3/b49-14+
• InChIKey: KTCXFXQXZIXLCO-HJQDDEQKSA-N
• XLogP: 15.27
• TPSA: 12.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.07
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine?

The IUPAC name of (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine (CID 118188059) is (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine.

What is the SMILES notation for (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine?

The canonical SMILES for (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine is C=C/C=c1\c(=C)n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc1c32.

What is the InChIKey of (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine?

The InChIKey is KTCXFXQXZIXLCO-HJQDDEQKSA-N. The full InChI is InChI=1S/C63H45N3/c1-5-14-49-40(2)64-59-20-11-9-18-54(59)56-39-48(38-55(49)62(56)64)65(46-32-27-43(28-33-46)44-29-36-51-50-15-6-10-19-57(50)63(3,4)58(51)37-44)45-30-23-41(24-31-45)42-25-34-47(35-26-42)66-60-21-12-7-16-52(60)53-17-8-13-22-61(53)66/h5-39H,1-2H2,3-4H3/b49-14+.

What are the key properties of (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine?

(10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine has a molecular weight of 844.07 g/mol, XLogP of 15.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-amine is sourced from PubChem (CID 118188059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).