7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole

C26H19BrN2 — CID 162402293

IUPAC7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole
SMILESCn1c2ccccc2c2c1cc(-c1ccccc1Br)c1c3ccccc3n(C)c12
InChIInChI=1S/C26H19BrN2/c1-28-21-13-7-5-11-18(21)25-23(28)15-19(16-9-3-6-12-20(16)27)24-17-10-4-8-14-22(17)29(2)26(24)25/h3-15H,1-2H3
InChIKeyQZNYOZWAJNOMIB-UHFFFAOYSA-N
MW439.36 g/mol
LogP7.41
Rot. Bonds1

About 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole

7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole (PubChem CID 162402293) has the molecular formula C26H19BrN2 and a molecular weight of 439.36 g/mol. Its IUPAC name is 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole
PubChem CID162402293
Molecular FormulaC26H19BrN2
Molecular Weight439.36 g/mol
Exact Mass438.07
IUPAC Name7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole
SMILESCn1c2ccccc2c2c1cc(-c1ccccc1Br)c1c3ccccc3n(C)c12
InChIInChI=1S/C26H19BrN2/c1-28-21-13-7-5-11-18(21)25-23(28)15-19(16-9-3-6-12-20(16)27)24-17-10-4-8-14-22(17)29(2)26(24)25/h3-15H,1-2H3
InChIKeyQZNYOZWAJNOMIB-UHFFFAOYSA-N
XLogP7.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,12-dimethyl-7-(4-methylphenyl)indolo[3,2-a]carbazole
CID 162402287
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole
CID 139052416
4-bromo-1-methoxy-9-methylcarbazole
CID 171449091
2,4,9-trimethylcarbazole
CID 12613661
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
ethane;bis(9-methylcarbazole)
CID 159710949
CID 144752924
CID 144752924
2-(2-bromophenyl)-1-methylindole
CID 127263547
5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194410
8,30-dimethyl-5,8,27,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;14,36-dimethyl-5,14,27,36-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 165023613

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole?
The IUPAC name of 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole (CID 162402293) is 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole.
What is the SMILES notation for 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole?
The canonical SMILES for 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole is Cn1c2ccccc2c2c1cc(-c1ccccc1Br)c1c3ccccc3n(C)c12.
What is the InChIKey of 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole?
The InChIKey is QZNYOZWAJNOMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2/c1-28-21-13-7-5-11-18(21)25-23(28)15-19(16-9-3-6-12-20(16)27)24-17-10-4-8-14-22(17)29(2)26(24)25/h3-15H,1-2H3.
What are the key properties of 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole?
7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole has a molecular weight of 439.36 g/mol, XLogP of 7.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole is sourced from PubChem (CID 162402293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).