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

C67H54N2 — CID 154597327

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

N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 154597327) has the molecular formula C67H54N2 and a molecular weight of 887.18 g/mol. Its IUPAC name is N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 154597327
• Molecular Formula: C67H54N2
• Molecular Weight: 887.18 g/mol
• Exact Mass: 886.43
• IUPAC Name: N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc4)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C67H54N2/c1-5-45(2)46-20-22-51(23-21-46)53-32-40-65-61(42-53)62-43-54(33-41-66(62)69(65)55-16-10-7-11-17-55)52-26-24-48(25-27-52)50-30-36-57(37-31-50)68(56-34-28-49(29-35-56)47-14-8-6-9-15-47)58-38-39-60-59-18-12-13-19-63(59)67(3,4)64(60)44-58/h6-45H,5H2,1-4H3
• InChIKey: SDRLJAUDKPGUJC-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.18
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 154597327) is N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc4)ccc2n3-c2ccccc2)cc1.

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

The InChIKey is SDRLJAUDKPGUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H54N2/c1-5-45(2)46-20-22-51(23-21-46)53-32-40-65-61(42-53)62-43-54(33-41-66(62)69(65)55-16-10-7-11-17-55)52-26-24-48(25-27-52)50-30-36-57(37-31-50)68(56-34-28-49(29-35-56)47-14-8-6-9-15-47)58-38-39-60-59-18-12-13-19-63(59)67(3,4)64(60)44-58/h6-45H,5H2,1-4H3.

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

N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 887.18 g/mol, XLogP of 18.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154597327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).