3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole

C30H19Br2N — CID 163652823

IUPAC3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C30H19Br2N/c31-21-14-16-29-26(18-21)27-19-22(32)15-17-30(27)33(29)28-13-7-6-12-25(28)24-11-5-4-10-23(24)20-8-2-1-3-9-20/h1-19H
InChIKeyINRJXRUHADXPOZ-UHFFFAOYSA-N
MW553.30 g/mol
LogP9.64
Rot. Bonds3

About 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole

3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole (PubChem CID 163652823) has the molecular formula C30H19Br2N and a molecular weight of 553.30 g/mol. Its IUPAC name is 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
PubChem CID163652823
Molecular FormulaC30H19Br2N
Molecular Weight553.30 g/mol
Exact Mass550.99
IUPAC Name3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C30H19Br2N/c31-21-14-16-29-26(18-21)27-19-22(32)15-17-30(27)33(29)28-13-7-6-12-25(28)24-11-5-4-10-23(24)20-8-2-1-3-9-20/h1-19H
InChIKeyINRJXRUHADXPOZ-UHFFFAOYSA-N
XLogP9.64
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.30
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284775
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 146490414
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
CID 169284938
4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
CID 130440793
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590633
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
CID 118087614
3-(9-phenylcarbazol-3-yl)-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 158217203
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol
CID 67325959

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole (CID 163652823) is 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole?
The InChIKey is INRJXRUHADXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br2N/c31-21-14-16-29-26(18-21)27-19-22(32)15-17-30(27)33(29)28-13-7-6-12-25(28)24-11-5-4-10-23(24)20-8-2-1-3-9-20/h1-19H.
What are the key properties of 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole?
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole has a molecular weight of 553.30 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 163652823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).