6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine

C36H24BrFN2 — CID 129194655

IUPAC6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine
SMILESFc1cccc(N(c2ccccc2)c2ccc3c(c2)c2cc(Br)ccc2n3-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C36H24BrFN2/c37-27-17-19-35-33(22-27)34-24-32(39(29-13-5-2-6-14-29)31-16-8-12-28(38)23-31)18-20-36(34)40(35)30-15-7-11-26(21-30)25-9-3-1-4-10-25/h1-24H
InChIKeyQSOKBOPWZNTTJU-UHFFFAOYSA-N
MW583.50 g/mol
LogP10.82
Rot. Bonds5

About 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine

6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine (PubChem CID 129194655) has the molecular formula C36H24BrFN2 and a molecular weight of 583.50 g/mol. Its IUPAC name is 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine
PubChem CID129194655
Molecular FormulaC36H24BrFN2
Molecular Weight583.50 g/mol
Exact Mass582.11
IUPAC Name6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine
SMILESFc1cccc(N(c2ccccc2)c2ccc3c(c2)c2cc(Br)ccc2n3-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C36H24BrFN2/c37-27-17-19-35-33(22-27)34-24-32(39(29-13-5-2-6-14-29)31-16-8-12-28(38)23-31)18-20-36(34)40(35)30-15-7-11-26(21-30)25-9-3-1-4-10-25/h1-24H
InChIKeyQSOKBOPWZNTTJU-UHFFFAOYSA-N
XLogP10.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.50
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine (CID 129194655) is 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine is Fc1cccc(N(c2ccccc2)c2ccc3c(c2)c2cc(Br)ccc2n3-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is QSOKBOPWZNTTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrFN2/c37-27-17-19-35-33(22-27)34-24-32(39(29-13-5-2-6-14-29)31-16-8-12-28(38)23-31)18-20-36(34)40(35)30-15-7-11-26(21-30)25-9-3-1-4-10-25/h1-24H.
What are the key properties of 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine?
6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 583.50 g/mol, XLogP of 10.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluorophenyl)-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 129194655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).