N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran

C85H61BrN4O — CID 145133640

About N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran

N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran (PubChem CID 145133640) has the molecular formula C85H61BrN4O and a molecular weight of 1234.35 g/mol. Its IUPAC name is N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran.

Molecular Properties

• Compound Name: N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran
• PubChem CID: 145133640
• Molecular Formula: C85H61BrN4O
• Molecular Weight: 1234.35 g/mol
• Exact Mass: 1232.40
• IUPAC Name: N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran
• SMILES: C/C=C1\COc2ccc(-c3ccccc3)cc21.Nc1ccccc1-c1ccccc1Cn1c2ccccc2c2cc(-c3cc(Br)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c3)ccc21
• InChI: InChI=1S/C69H47BrN4.C16H14O/c70-54-38-52(49-27-35-67-63(42-49)61-20-8-11-23-66(61)72(67)44-51-17-5-6-18-59(51)60-19-7-10-22-65(60)71)37-53(39-54)50-28-36-69-64(43-50)62-21-9-12-24-68(62)74(69)56-33-31-55(32-34-56)73(57-29-25-45-13-1-3-15-47(45)40-57)58-30-26-46-14-2-4-16-48(46)41-58;1-2-12-11-17-16-9-8-14(10-15(12)16)13-6-4-3-5-7-13/h1-43H,44,71H2;2-10H,11H2,1H3/b;12-2+
• InChIKey: NRDSNBZLJDUUPN-YDKYKBQKSA-N
• XLogP: 23.21
• TPSA: 48.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.35
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran?

The IUPAC name of N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran (CID 145133640) is N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran.

What is the SMILES notation for N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran?

The canonical SMILES for N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran is C/C=C1\COc2ccc(-c3ccccc3)cc21.Nc1ccccc1-c1ccccc1Cn1c2ccccc2c2cc(-c3cc(Br)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)c3)ccc21.

What is the InChIKey of N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran?

The InChIKey is NRDSNBZLJDUUPN-YDKYKBQKSA-N. The full InChI is InChI=1S/C69H47BrN4.C16H14O/c70-54-38-52(49-27-35-67-63(42-49)61-20-8-11-23-66(61)72(67)44-51-17-5-6-18-59(51)60-19-7-10-22-65(60)71)37-53(39-54)50-28-36-69-64(43-50)62-21-9-12-24-68(62)74(69)56-33-31-55(32-34-56)73(57-29-25-45-13-1-3-15-47(45)40-57)58-30-26-46-14-2-4-16-48(46)41-58;1-2-12-11-17-16-9-8-14(10-15(12)16)13-6-4-3-5-7-13/h1-43H,44,71H2;2-10H,11H2,1H3/b;12-2+.

What are the key properties of N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran?

N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran has a molecular weight of 1234.35 g/mol, XLogP of 23.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[3-[9-[[2-(2-aminophenyl)phenyl]methyl]carbazol-3-yl]-5-bromophenyl]carbazol-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;(3Z)-3-ethylidene-5-phenyl-1-benzofuran is sourced from PubChem (CID 145133640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).