N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine

C74H52N4 — CID 76557074

About N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine

N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine (PubChem CID 76557074) has the molecular formula C74H52N4 and a molecular weight of 997.26 g/mol. Its IUPAC name is N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
• PubChem CID: 76557074
• Molecular Formula: C74H52N4
• Molecular Weight: 997.26 g/mol
• Exact Mass: 996.42
• IUPAC Name: N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
• SMILES: C(=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C74H52N4/c1-5-17-55(18-6-1)57-35-43-63(44-36-57)77-71-27-15-13-25-67(71)69-51-65(47-49-73(69)77)75(59-21-9-3-10-22-59)61-39-31-53(32-40-61)29-30-54-33-41-62(42-34-54)76(60-23-11-4-12-24-60)66-48-50-74-70(52-66)68-26-14-16-28-72(68)78(74)64-45-37-58(38-46-64)56-19-7-2-8-20-56/h1-52H
• InChIKey: TXGALOZDKZNDNU-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.26
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine?

The IUPAC name of N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine (CID 76557074) is N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine.

What is the SMILES notation for N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine?

The canonical SMILES for N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine is C(=Cc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1.

What is the InChIKey of N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine?

The InChIKey is TXGALOZDKZNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N4/c1-5-17-55(18-6-1)57-35-43-63(44-36-57)77-71-27-15-13-25-67(71)69-51-65(47-49-73(69)77)75(59-21-9-3-10-22-59)61-39-31-53(32-40-61)29-30-54-33-41-62(42-34-54)76(60-23-11-4-12-24-60)66-48-50-74-70(52-66)68-26-14-16-28-72(68)78(74)64-45-37-58(38-46-64)56-19-7-2-8-20-56/h1-52H.

What are the key properties of N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine?

N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine has a molecular weight of 997.26 g/mol, XLogP of 20.32, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 76557074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).