N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine

C₄₃H₃₁BrN₂ — CID 66585323

About N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine

N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 66585323) has the molecular formula C₄₃H₃₁BrN₂ and a molecular weight of 655.64 g/mol. Its IUPAC name is N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine
• PubChem CID: 66585323
• Molecular Formula: C₄₃H₃₁BrN₂
• Molecular Weight: 655.64 g/mol
• Exact Mass: 654.17
• IUPAC Name: N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C43H31BrN2/c1-43(2)39-15-9-8-14-35(39)36-27-42-38(26-40(36)43)37-25-30(44)17-23-41(37)46(42)33-21-19-32(20-22-33)45(31-12-4-3-5-13-31)34-18-16-28-10-6-7-11-29(28)24-34/h3-27H,1-2H3
• InChIKey: HCYHZQPKCGGFLI-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.64
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine?

The IUPAC name of N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine (CID 66585323) is N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine.

What is the SMILES notation for N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine?

The canonical SMILES for N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine?

The InChIKey is HCYHZQPKCGGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31BrN2/c1-43(2)39-15-9-8-14-35(39)36-27-42-38(26-40(36)43)37-25-30(44)17-23-41(37)46(42)33-21-19-32(20-22-33)45(31-12-4-3-5-13-31)34-18-16-28-10-6-7-11-29(28)24-34/h3-27H,1-2H3.

What are the key properties of N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine?

N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 655.64 g/mol, XLogP of 12.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-bromo-11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 66585323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66585323 — identifiers, structure, computed properties (public domain)

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