1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole

C31H19Br2ClN2 — CID 167343591

IUPAC1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole
SMILESCc1ccc(-c2cc(Br)c(-c3ccc(Cl)c4c3[nH]c3ccccc34)cc2Br)c2[nH]c3ccccc3c12
InChIInChI=1S/C31H19Br2ClN2/c1-16-10-11-17(30-28(16)19-6-2-4-8-26(19)35-30)21-14-24(33)22(15-23(21)32)18-12-13-25(34)29-20-7-3-5-9-27(20)36-31(18)29/h2-15,35-36H,1H3
InChIKeyQMVDMUGYYLCEQE-UHFFFAOYSA-N
MW614.77 g/mol
LogP10.78
Rot. Bonds2

About 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole

1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole (PubChem CID 167343591) has the molecular formula C31H19Br2ClN2 and a molecular weight of 614.77 g/mol. Its IUPAC name is 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole.

Molecular Properties

Compound Name1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole
PubChem CID167343591
Molecular FormulaC31H19Br2ClN2
Molecular Weight614.77 g/mol
Exact Mass611.96
IUPAC Name1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole
SMILESCc1ccc(-c2cc(Br)c(-c3ccc(Cl)c4c3[nH]c3ccccc34)cc2Br)c2[nH]c3ccccc3c12
InChIInChI=1S/C31H19Br2ClN2/c1-16-10-11-17(30-28(16)19-6-2-4-8-26(19)35-30)21-14-24(33)22(15-23(21)32)18-12-13-25(34)29-20-7-3-5-9-27(20)36-31(18)29/h2-15,35-36H,1H3
InChIKeyQMVDMUGYYLCEQE-UHFFFAOYSA-N
XLogP10.78
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.77
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-methyl-9H-carbazole
CID 154342995
1-bromo-4-phenyl-9H-carbazole
CID 152676128
3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
CID 142290502
2-methyl-9H-carbazole-1,4-diamine
CID 68823015
2-(5,8-dimethyl-9H-carbazol-2-yl)-1,5-dimethyl-9H-carbazole
CID 135195660
1,2,3,4-tetrabromo-9H-carbazole
CID 70631482
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
2,5-dimethyl-10H-thieno[2,3-a]carbazole
CID 86045135
3,4-dimethyl-9H-carbazole-1-carbonitrile
CID 101496372
1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607353
1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole?
The IUPAC name of 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole (CID 167343591) is 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole.
What is the SMILES notation for 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole?
The canonical SMILES for 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole is Cc1ccc(-c2cc(Br)c(-c3ccc(Cl)c4c3[nH]c3ccccc34)cc2Br)c2[nH]c3ccccc3c12.
What is the InChIKey of 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole?
The InChIKey is QMVDMUGYYLCEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19Br2ClN2/c1-16-10-11-17(30-28(16)19-6-2-4-8-26(19)35-30)21-14-24(33)22(15-23(21)32)18-12-13-25(34)29-20-7-3-5-9-27(20)36-31(18)29/h2-15,35-36H,1H3.
What are the key properties of 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole?
1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole has a molecular weight of 614.77 g/mol, XLogP of 10.78, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dibromo-4-(4-chloro-9H-carbazol-1-yl)phenyl]-4-methyl-9H-carbazole is sourced from PubChem (CID 167343591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).