N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

C84H53N3 — CID 135168134

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (PubChem CID 135168134) has the molecular formula C84H53N3 and a molecular weight of 1104.37 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• PubChem CID: 135168134
• Molecular Formula: C84H53N3
• Molecular Weight: 1104.37 g/mol
• Exact Mass: 1103.42
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• SMILES: c1ccc(C2(c3ccccc3)c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3-c3c2ccc2ccccc32)cc1
• InChI: InChI=1S/C84H53N3/c1-3-22-57(23-4-1)83(58-24-5-2-6-25-58)72-52-45-56-21-7-8-26-62(56)80(72)68-51-50-61(53-74(68)83)85(59-46-41-54(42-47-59)55-43-48-60(49-44-55)86-75-36-15-10-27-63(75)64-28-11-16-37-76(64)86)79-40-20-34-71-81(79)67-30-9-13-32-69(67)84(71)70-33-14-18-39-78(70)87-77-38-17-12-29-65(77)66-31-19-35-73(84)82(66)87/h1-53H
• InChIKey: GOKIOAHNMYLCJY-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1104.37
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (CID 135168134) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is c1ccc(C2(c3ccccc3)c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)ccc3-c3c2ccc2ccccc32)cc1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The InChIKey is GOKIOAHNMYLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53N3/c1-3-22-57(23-4-1)83(58-24-5-2-6-25-58)72-52-45-56-21-7-8-26-62(56)80(72)68-51-50-61(53-74(68)83)85(59-46-41-54(42-47-59)55-43-48-60(49-44-55)86-75-36-15-10-27-63(75)64-28-11-16-37-76(64)86)79-40-20-34-71-81(79)67-30-9-13-32-69(67)84(71)70-33-14-18-39-78(70)87-77-38-17-12-29-65(77)66-31-19-35-73(84)82(66)87/h1-53H.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine has a molecular weight of 1104.37 g/mol, XLogP of 21.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 135168134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).