N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine

C84H53N3 — CID 135167948

About N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine

N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine (PubChem CID 135167948) has the molecular formula C84H53N3 and a molecular weight of 1104.37 g/mol. Its IUPAC name is N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine.

Molecular Properties

• Compound Name: N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine
• PubChem CID: 135167948
• Molecular Formula: C84H53N3
• Molecular Weight: 1104.37 g/mol
• Exact Mass: 1103.42
• IUPAC Name: N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccc7ccccc7c5-6)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)ccc32)cc1
• InChI: InChI=1S/C84H53N3/c1-4-22-57(23-5-1)83(58-24-6-2-7-25-58)73-49-41-55-21-10-11-28-63(55)81(73)69-48-46-62(53-76(69)83)85(60-43-39-54(40-44-60)56-42-50-79-70(51-56)67-31-14-17-36-77(67)86(79)59-26-8-3-9-27-59)61-45-47-65-64-29-12-15-33-71(64)84(75(65)52-61)72-34-16-19-38-80(72)87-78-37-18-13-30-66(78)68-32-20-35-74(84)82(68)87/h1-53H
• InChIKey: RRZTUEWCCMLLKS-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[g]fluoren-9-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]-2'-amine?

The IUPAC name of N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine (CID 135167948) is N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine.

What is the SMILES notation for N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine?

The canonical SMILES for N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccc7ccccc7c5-6)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)cc4)ccc32)cc1.

What is the InChIKey of N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine?

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

What are the key properties of N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-amine?

N-(7,7-diphenylbenzo[g]fluoren-9-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]-2'-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[g]fluoren-9-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]-2'-amine is sourced from PubChem (CID 135167948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).