N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine

C55H35N3 — CID 134309232

About N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine

N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine (PubChem CID 134309232) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine
• PubChem CID: 134309232
• Molecular Formula: C55H35N3
• Molecular Weight: 737.91 g/mol
• Exact Mass: 737.28
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine
• SMILES: c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C55H35N3/c1-2-15-36(16-3-1)56(37-29-31-38(32-30-37)57-50-25-10-5-18-42(50)43-19-6-11-26-51(43)57)39-33-34-41-40-17-4-8-22-46(40)55(49(41)35-39)47-23-9-13-28-53(47)58-52-27-12-7-20-44(52)45-21-14-24-48(55)54(45)58/h1-35H
• InChIKey: WTWCZZAXOIPCGO-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.91
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine (CID 134309232) is N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine?

The InChIKey is WTWCZZAXOIPCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-2-15-36(16-3-1)56(37-29-31-38(32-30-37)57-50-25-10-5-18-42(50)43-19-6-11-26-51(43)57)39-33-34-41-40-17-4-8-22-46(40)55(49(41)35-39)47-23-9-13-28-53(47)58-52-27-12-7-20-44(52)45-21-14-24-48(55)54(45)58/h1-35H.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine?

N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine has a molecular weight of 737.91 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-phenylspiro[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]-2'-amine is sourced from PubChem (CID 134309232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).