N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C68H56N2 — CID 155614229

About N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155614229) has the molecular formula C68H56N2 and a molecular weight of 901.21 g/mol. Its IUPAC name is N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155614229
• Molecular Formula: C68H56N2
• Molecular Weight: 901.21 g/mol
• Exact Mass: 900.44
• IUPAC Name: N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc(C)cc3)cc2)cc1
• InChI: InChI=1S/C68H56N2/c1-6-46(3)47-18-20-49(21-19-47)50-22-24-52(25-23-50)54-30-40-66-62(42-54)63-43-55(31-41-67(63)70(66)58-32-16-45(2)17-33-58)53-28-36-57(37-29-53)69(56-34-26-51(27-35-56)48-12-8-7-9-13-48)59-38-39-61-60-14-10-11-15-64(60)68(4,5)65(61)44-59/h7-44,46H,6H2,1-5H3
• InChIKey: UQHGCRXEIHXOTJ-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.21
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155614229) is N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc3n4-c3ccc(C)cc3)cc2)cc1.

What is the InChIKey of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is UQHGCRXEIHXOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56N2/c1-6-46(3)47-18-20-49(21-19-47)50-22-24-52(25-23-50)54-30-40-66-62(42-54)63-43-55(31-41-67(63)70(66)58-32-16-45(2)17-33-58)53-28-36-57(37-29-53)69(56-34-26-51(27-35-56)48-12-8-7-9-13-48)59-38-39-61-60-14-10-11-15-64(60)68(4,5)65(61)44-59/h7-44,46H,6H2,1-5H3.

What are the key properties of N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 901.21 g/mol, XLogP of 19.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155614229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).