9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine

C66H47N3 — CID 169023204

About 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine

9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine (PubChem CID 169023204) has the molecular formula C66H47N3 and a molecular weight of 882.12 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine
• PubChem CID: 169023204
• Molecular Formula: C66H47N3
• Molecular Weight: 882.12 g/mol
• Exact Mass: 881.38
• IUPAC Name: 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cc5c6c(c4)C4(CCCCC4)c4ccc7c8ccccc8n(c7c4-6)-c4ccccc4-5)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
• InChI: InChI=1S/C66H47N3/c1-4-17-43(18-5-1)44-29-33-48(34-30-44)67(61-28-16-24-53-50-21-8-11-25-58(50)68(64(53)61)47-19-6-2-7-20-47)49-35-31-45(32-36-49)46-41-55-52-23-10-13-27-60(52)69-59-26-12-9-22-51(59)54-37-38-56-63(65(54)69)62(55)57(42-46)66(56)39-14-3-15-40-66/h1-2,4-13,16-38,41-42H,3,14-15,39-40H2
• InChIKey: UNGXULWEITXGDN-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.12
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine?

The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine (CID 169023204) is 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine.

What is the SMILES notation for 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine?

The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6c(c4)C4(CCCCC4)c4ccc7c8ccccc8n(c7c4-6)-c4ccccc4-5)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.

What is the InChIKey of 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine?

The InChIKey is UNGXULWEITXGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3/c1-4-17-43(18-5-1)44-29-33-48(34-30-44)67(61-28-16-24-53-50-21-8-11-25-58(50)68(64(53)61)47-19-6-2-7-20-47)49-35-31-45(32-36-49)46-41-55-52-23-10-13-27-60(52)69-59-26-12-9-22-51(59)54-37-38-56-63(65(54)69)62(55)57(42-46)66(56)39-14-3-15-40-66/h1-2,4-13,16-38,41-42H,3,14-15,39-40H2.

What are the key properties of 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine?

9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine has a molecular weight of 882.12 g/mol, XLogP of 17.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine is sourced from PubChem (CID 169023204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).