9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C77H82N2 — CID 155648212

About 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155648212) has the molecular formula C77H82N2 and a molecular weight of 1035.52 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155648212
• Molecular Formula: C77H82N2
• Molecular Weight: 1035.52 g/mol
• Exact Mass: 1034.65
• IUPAC Name: 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCCCCCCCCCCCCCCCCc1cc(C)cc(-c2cc(C)cc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)c2)c1
• InChI: InChI=1S/C77H82N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-58-48-56(2)49-63(52-58)64-50-57(3)51-68(53-64)79-75-35-28-26-33-71(75)72-46-40-62(54-76(72)79)61-38-43-66(44-39-61)78(65-41-36-60(37-42-65)59-30-23-21-24-31-59)67-45-47-70-69-32-25-27-34-73(69)77(4,5)74(70)55-67/h21,23-28,30-55H,6-20,22,29H2,1-5H3
• InChIKey: VCYSRGHCEXSESD-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 24
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.52
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 155648212) is 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CCCCCCCCCCCCCCCCCCc1cc(C)cc(-c2cc(C)cc(-n3c4ccccc4c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)cc43)c2)c1.

What is the InChIKey of 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is VCYSRGHCEXSESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H82N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-58-48-56(2)49-63(52-58)64-50-57(3)51-68(53-64)79-75-35-28-26-33-71(75)72-46-40-62(54-76(72)79)61-38-43-66(44-39-61)78(65-41-36-60(37-42-65)59-30-23-21-24-31-59)67-45-47-70-69-32-25-27-34-73(69)77(4,5)74(70)55-67/h21,23-28,30-55H,6-20,22,29H2,1-5H3.

What are the key properties of 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1035.52 g/mol, XLogP of 22.98, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octadecylphenyl)phenyl]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155648212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).