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

C67H62N2 — CID 155648216

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

9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155648216) has the molecular formula C67H62N2 and a molecular weight of 895.25 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155648216
• Molecular Formula: C67H62N2
• Molecular Weight: 895.25 g/mol
• Exact Mass: 894.49
• IUPAC Name: 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCCCCCCc1cc(C)cc(-c2cc(C)cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc43)c2)c1
• InChI: InChI=1S/C67H62N2/c1-6-7-8-9-10-12-19-48-38-46(2)39-53(42-48)54-40-47(3)41-58(43-54)69-65-25-18-16-23-61(65)62-44-52(30-37-66(62)69)51-28-33-56(34-29-51)68(55-31-26-50(27-32-55)49-20-13-11-14-21-49)57-35-36-60-59-22-15-17-24-63(59)67(4,5)64(60)45-57/h11,13-18,20-45H,6-10,12,19H2,1-5H3
• InChIKey: SINKBXAJVBJQNC-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.25
LogP ≤ 5	19.08
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-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 155648216) is 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-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-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CCCCCCCCc1cc(C)cc(-c2cc(C)cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)ccc43)c2)c1.

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

The InChIKey is SINKBXAJVBJQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H62N2/c1-6-7-8-9-10-12-19-48-38-46(2)39-53(42-48)54-40-47(3)41-58(43-54)69-65-25-18-16-23-61(65)62-44-52(30-37-66(62)69)51-28-33-56(34-29-51)68(55-31-26-50(27-32-55)49-20-13-11-14-21-49)57-35-36-60-59-22-15-17-24-63(59)67(4,5)64(60)45-57/h11,13-18,20-45H,6-10,12,19H2,1-5H3.

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

9,9-dimethyl-N-[4-[9-[3-methyl-5-(3-methyl-5-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 895.25 g/mol, XLogP of 19.08, 14 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-octylphenyl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155648216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).