N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[c]fluoren-5-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 135168232

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[c]fluoren-5-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[c]fluoren-5-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 135168232) 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[c]fluoren-5-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[c]fluoren-5-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: 135168232
• 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[c]fluoren-5-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)c3ccccc3-c3c2cc(N(c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)c2cccc4c2-c2ccccc2C42c4ccccc4-n4c5ccccc5c5cccc2c54)c2ccccc32)cc1
• InChI: InChI=1S/C84H53N3/c1-3-23-56(24-4-1)83(57-25-5-2-6-26-57)68-35-14-9-32-66(68)80-64-31-8-7-29-62(64)79(53-73(80)83)86(59-51-47-55(48-52-59)54-45-49-58(50-46-54)85-74-40-17-11-27-60(74)61-28-12-18-41-75(61)85)78-44-22-38-71-81(78)67-33-10-15-36-69(67)84(71)70-37-16-20-43-77(70)87-76-42-19-13-30-63(76)65-34-21-39-72(84)82(65)87/h1-53H
• InChIKey: KFCKXMZEFZVMHR-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[c]fluoren-5-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[c]fluoren-5-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 135168232) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[c]fluoren-5-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[c]fluoren-5-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[c]fluoren-5-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)c3ccccc3-c3c2cc(N(c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)c2cccc4c2-c2ccccc2C42c4ccccc4-n4c5ccccc5c5cccc2c54)c2ccccc32)cc1.

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

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[c]fluoren-5-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[c]fluoren-5-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[c]fluoren-5-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 135168232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).