7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole

C38H28BrCl2N — CID 166084567

IUPAC7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1c3ccccc3c(-c3c(C)cccc3C)cc1n2-c1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C38H28BrCl2N/c1-21-9-7-10-22(2)35(21)25-15-16-32-30(17-25)37-28-14-6-5-13-27(28)29(36-23(3)11-8-12-24(36)4)20-33(37)42(32)34-19-26(40)18-31(39)38(34)41/h5-20H,1-4H3
InChIKeyXZRMETKXMBBHPE-UHFFFAOYSA-N
MW649.46 g/mol
LogP12.57
Rot. Bonds3

About 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole

7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole (PubChem CID 166084567) has the molecular formula C38H28BrCl2N and a molecular weight of 649.46 g/mol. Its IUPAC name is 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole
PubChem CID166084567
Molecular FormulaC38H28BrCl2N
Molecular Weight649.46 g/mol
Exact Mass647.08
IUPAC Name7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1c3ccccc3c(-c3c(C)cccc3C)cc1n2-c1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C38H28BrCl2N/c1-21-9-7-10-22(2)35(21)25-15-16-32-30(17-25)37-28-14-6-5-13-27(28)29(36-23(3)11-8-12-24(36)4)20-33(37)42(32)34-19-26(40)18-31(39)38(34)41/h5-20H,1-4H3
InChIKeyXZRMETKXMBBHPE-UHFFFAOYSA-N
XLogP12.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.46
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole
CID 170563982
9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
CID 166084545
7-(4-bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472880
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
9-(4-bromonaphthalen-1-yl)-3,6-diphenylcarbazole
CID 59372184
9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
CID 167358333
4-bromo-7-(2-chlorophenyl)benzo[c]carbazole
CID 134436835
5-(2,6-dimethylphenyl)-15,32-dimethyl-23,28,33-tris(2-methylphenyl)-2,19-diaza-18-boradecacyclo[16.16.1.12,13.119,26.03,12.06,11.020,25.031,35.017,37.030,36]heptatriaconta-1(35),3(12),4,6,8,10,13(37),14,16,20(25),21,23,26(36),27,29,31,33-heptadecaene
CID 171761311
5-chloro-3-phenyl-9-(2-phenylphenyl)carbazole
CID 90370377
9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301140
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
10-[3-(4-bromophenyl)phenyl]-7-naphthalen-1-ylbenzo[c]carbazole
CID 122595386

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole?
The IUPAC name of 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole (CID 166084567) is 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole.
What is the SMILES notation for 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole?
The canonical SMILES for 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole is Cc1cccc(C)c1-c1ccc2c(c1)c1c3ccccc3c(-c3c(C)cccc3C)cc1n2-c1cc(Cl)cc(Br)c1Cl.
What is the InChIKey of 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole?
The InChIKey is XZRMETKXMBBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28BrCl2N/c1-21-9-7-10-22(2)35(21)25-15-16-32-30(17-25)37-28-14-6-5-13-27(28)29(36-23(3)11-8-12-24(36)4)20-33(37)42(32)34-19-26(40)18-31(39)38(34)41/h5-20H,1-4H3.
What are the key properties of 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole?
7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole has a molecular weight of 649.46 g/mol, XLogP of 12.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole is sourced from PubChem (CID 166084567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).