9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C67H48N2 — CID 58161662

About 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 58161662) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 58161662
• Molecular Formula: C67H48N2
• Molecular Weight: 881.14 g/mol
• Exact Mass: 880.38
• IUPAC Name: 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc7ccccc7c6)c45)cc3)cc21
• InChI: InChI=1S/C67H48N2/c1-67(2)62-28-15-14-25-58(62)59-40-39-55(44-63(59)67)68(52-34-29-47(30-35-52)45-17-6-3-7-18-45)53-36-32-48(33-37-53)56-26-16-27-60-57(56)41-42-61-64(49-20-8-4-9-21-49)65(50-22-10-5-11-23-50)69(66(60)61)54-38-31-46-19-12-13-24-51(46)43-54/h3-44H,1-2H3
• InChIKey: ASRYJKQJQWHMGE-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.14
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 58161662) is 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc7ccccc7c6)c45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is ASRYJKQJQWHMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)62-28-15-14-25-58(62)59-40-39-55(44-63(59)67)68(52-34-29-47(30-35-52)45-17-6-3-7-18-45)53-36-32-48(33-37-53)56-26-16-27-60-57(56)41-42-61-64(49-20-8-4-9-21-49)65(50-22-10-5-11-23-50)69(66(60)61)54-38-31-46-19-12-13-24-51(46)43-54/h3-44H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 881.14 g/mol, XLogP of 18.38, 8 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-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58161662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).