N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C73H54N4 — CID 170132462

About N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 170132462) has the molecular formula C73H54N4 and a molecular weight of 987.26 g/mol. Its IUPAC name is N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 170132462
• Molecular Formula: C73H54N4
• Molecular Weight: 987.26 g/mol
• Exact Mass: 986.43
• IUPAC Name: N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: C=C1/C=C\C=C/Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2N1c1ccccc1
• InChI: InChI=1S/C73H54N4/c1-53-19-7-2-12-24-60-51-67(47-49-71(60)74(53)61-25-13-5-14-26-61)75(63-39-31-56(32-40-63)54-20-8-3-9-21-54)64-43-35-58(36-44-64)59-37-45-66(46-38-59)76(65-41-33-57(34-42-65)55-22-10-4-11-23-55)68-48-50-73-70(52-68)69-29-17-18-30-72(69)77(73)62-27-15-6-16-28-62/h2-23,25-52H,1,24H2/b12-2-,19-7-
• InChIKey: UYSRRANVLARADK-SAULULFASA-N
• XLogP: 20.04
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.26
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 170132462) is N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is C=C1/C=C\C=C/Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)ccc2N1c1ccccc1.

What is the InChIKey of N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?

The InChIKey is UYSRRANVLARADK-SAULULFASA-N. The full InChI is InChI=1S/C73H54N4/c1-53-19-7-2-12-24-60-51-67(47-49-71(60)74(53)61-25-13-5-14-26-61)75(63-39-31-56(32-40-63)54-20-8-3-9-21-54)64-43-35-58(36-44-64)59-37-45-66(46-38-59)76(65-41-33-57(34-42-65)55-22-10-4-11-23-55)68-48-50-73-70(52-68)69-29-17-18-30-72(69)77(73)62-27-15-6-16-28-62/h2-23,25-52H,1,24H2/b12-2-,19-7-.

What are the key properties of N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?

N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 987.26 g/mol, XLogP of 20.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 170132462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).