N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine

C34H23BrN2 — CID 144888442

IUPACN-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESBrc1cc(N(c2ccccc2)c2ccc3ccccc3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C34H23BrN2/c35-26-21-29(23-30(22-26)37-33-16-8-6-14-31(33)32-15-7-9-17-34(32)37)36(27-12-2-1-3-13-27)28-19-18-24-10-4-5-11-25(24)20-28/h1-23H
InChIKeyKMJQGIYKIPQAQF-UHFFFAOYSA-N
MW539.48 g/mol
LogP10.17
Rot. Bonds4

About N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine

N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 144888442) has the molecular formula C34H23BrN2 and a molecular weight of 539.48 g/mol. Its IUPAC name is N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID144888442
Molecular FormulaC34H23BrN2
Molecular Weight539.48 g/mol
Exact Mass538.10
IUPAC NameN-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESBrc1cc(N(c2ccccc2)c2ccc3ccccc3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C34H23BrN2/c35-26-21-29(23-30(22-26)37-33-16-8-6-14-31(33)32-15-7-9-17-34(32)37)36(27-12-2-1-3-13-27)28-19-18-24-10-4-5-11-25(24)20-28/h1-23H
InChIKeyKMJQGIYKIPQAQF-UHFFFAOYSA-N
XLogP10.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine (CID 144888442) is N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine is Brc1cc(N(c2ccccc2)c2ccc3ccccc3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is KMJQGIYKIPQAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrN2/c35-26-21-29(23-30(22-26)37-33-16-8-6-14-31(33)32-15-7-9-17-34(32)37)36(27-12-2-1-3-13-27)28-19-18-24-10-4-5-11-25(24)20-28/h1-23H.
What are the key properties of N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine?
N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 539.48 g/mol, XLogP of 10.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 144888442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).