N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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 135168223

About N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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 135168223) has the molecular formula C84H53N3 and a molecular weight of 1104.37 g/mol. Its IUPAC name is N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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: 135168223
• Molecular Formula: C84H53N3
• Molecular Weight: 1104.37 g/mol
• Exact Mass: 1103.42
• IUPAC Name: N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c5cc6c(c7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)ccc32)cc1
• InChI: InChI=1S/C84H53N3/c1-4-24-56(25-5-1)83(57-26-6-2-7-27-57)68-37-16-12-34-65(68)80-63-33-11-10-30-60(63)79(53-73(80)83)86(59-49-46-54(47-50-59)55-48-51-76-67(52-55)62-32-15-19-42-74(62)85(76)58-28-8-3-9-29-58)78-45-23-40-71-81(78)66-35-13-17-38-69(66)84(71)70-39-18-21-44-77(70)87-75-43-20-14-31-61(75)64-36-22-41-72(84)82(64)87/h1-53H
• InChIKey: AIYNPOQWPKOQEY-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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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 135168223) is N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5-c5ccccc5C65c6ccccc6-n6c7ccccc7c7cccc5c76)c5cc6c(c7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)ccc32)cc1.

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

What are the key properties of N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]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 135168223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).