9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine

C59H42N2 — CID 177100908

About 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 177100908) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
• PubChem CID: 177100908
• Molecular Formula: C59H42N2
• Molecular Weight: 779.00 g/mol
• Exact Mass: 778.33
• IUPAC Name: 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5cccc(-c6ccc7ccccc7c6)c5c5c6ccccc6ccc54)cc3)c3cccc(-c4ccccc4)c3)cc21
• InChI: InChI=1S/C59H42N2/c1-59(2)53-24-11-10-22-51(53)52-34-33-48(38-54(52)59)60(47-20-12-19-43(37-47)39-14-4-3-5-15-39)45-29-31-46(32-30-45)61-55-25-13-23-50(44-27-26-40-16-6-7-18-42(40)36-44)58(55)57-49-21-9-8-17-41(49)28-35-56(57)61/h3-38H,1-2H3
• InChIKey: XTILZJBZRCVEOD-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.00
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine (CID 177100908) is 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5cccc(-c6ccc7ccccc7c6)c5c5c6ccccc6ccc54)cc3)c3cccc(-c4ccccc4)c3)cc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

The InChIKey is XTILZJBZRCVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-59(2)53-24-11-10-22-51(53)52-34-33-48(38-54(52)59)60(47-20-12-19-43(37-47)39-14-4-3-5-15-39)45-29-31-46(32-30-45)61-55-25-13-23-50(44-27-26-40-16-6-7-18-42(40)36-44)58(55)57-49-21-9-8-17-41(49)28-35-56(57)61/h3-38H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 779.00 g/mol, XLogP of 16.20, 6 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-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177100908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).