3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole

C37H24BrFN2 — CID 163900450

IUPAC3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole
SMILESCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(Br)cc4)ccc32)ccc1F
InChIInChI=1S/C37H24BrFN2/c1-23-20-28(16-17-33(23)39)41-35-9-5-3-7-30(35)32-22-25(11-19-37(32)41)24-10-18-36-31(21-24)29-6-2-4-8-34(29)40(36)27-14-12-26(38)13-15-27/h2-22H,1H3
InChIKeyQJJUFSUCHAIOCL-UHFFFAOYSA-N
MW595.51 g/mol
LogP10.76
Rot. Bonds3

About 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole

3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole (PubChem CID 163900450) has the molecular formula C37H24BrFN2 and a molecular weight of 595.51 g/mol. Its IUPAC name is 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole
PubChem CID163900450
Molecular FormulaC37H24BrFN2
Molecular Weight595.51 g/mol
Exact Mass594.11
IUPAC Name3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole
SMILESCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(Br)cc4)ccc32)ccc1F
InChIInChI=1S/C37H24BrFN2/c1-23-20-28(16-17-33(23)39)41-35-9-5-3-7-30(35)32-22-25(11-19-37(32)41)24-10-18-36-31(21-24)29-6-2-4-8-34(29)40(36)27-14-12-26(38)13-15-27/h2-22H,1H3
InChIKeyQJJUFSUCHAIOCL-UHFFFAOYSA-N
XLogP10.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.51
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-Bromophenyl)carbazole
CID 22361390
3-Bromo-9-phenylcarbazole
CID 18942624
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
(9-(4-Bromophenyl))-3,6-di-tert-butyyl-9H-carbazole
CID 57604191
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
3,5-(Di-9-Carbazolyl)Bromobenzene
CID 59770826
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole?
The IUPAC name of 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole (CID 163900450) is 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole is Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(Br)cc4)ccc32)ccc1F.
What is the InChIKey of 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole?
The InChIKey is QJJUFSUCHAIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24BrFN2/c1-23-20-28(16-17-33(23)39)41-35-9-5-3-7-30(35)32-22-25(11-19-37(32)41)24-10-18-36-31(21-24)29-6-2-4-8-34(29)40(36)27-14-12-26(38)13-15-27/h2-22H,1H3.
What are the key properties of 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole?
3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole has a molecular weight of 595.51 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole is sourced from PubChem (CID 163900450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).