9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole

C30H18Br2ClN — CID 167358333

IUPAC9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
SMILESClc1c(Br)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1Br
InChIInChI=1S/C30H18Br2ClN/c31-26-17-23(18-27(32)30(26)33)34-28-13-11-21(19-7-3-1-4-8-19)15-24(28)25-16-22(12-14-29(25)34)20-9-5-2-6-10-20/h1-18H
InChIKeyHHFNZLCDOLZFKC-UHFFFAOYSA-N
MW587.74 g/mol
LogP10.30
Rot. Bonds3

About 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole

9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole (PubChem CID 167358333) has the molecular formula C30H18Br2ClN and a molecular weight of 587.74 g/mol. Its IUPAC name is 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
PubChem CID167358333
Molecular FormulaC30H18Br2ClN
Molecular Weight587.74 g/mol
Exact Mass584.95
IUPAC Name9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
SMILESClc1c(Br)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1Br
InChIInChI=1S/C30H18Br2ClN/c31-26-17-23(18-27(32)30(26)33)34-28-13-11-21(19-7-3-1-4-8-19)15-24(28)25-16-22(12-14-29(25)34)20-9-5-2-6-10-20/h1-18H
InChIKeyHHFNZLCDOLZFKC-UHFFFAOYSA-N
XLogP10.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.74
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole (CID 167358333) is 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole is Clc1c(Br)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1Br.
What is the InChIKey of 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole?
The InChIKey is HHFNZLCDOLZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br2ClN/c31-26-17-23(18-27(32)30(26)33)34-28-13-11-21(19-7-3-1-4-8-19)15-24(28)25-16-22(12-14-29(25)34)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole?
9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole has a molecular weight of 587.74 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole is sourced from PubChem (CID 167358333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).