7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole

C38H23BrN2 — CID 164534080

IUPAC7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole
SMILESBrc1c(-n2c3ccccc3c3c4ccccc4ccc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C38H23BrN2/c39-37-34(40-32-17-8-6-15-30(32)36-26-12-3-1-10-24(26)21-23-33(36)40)18-9-19-35(37)41-31-16-7-5-14-28(31)29-22-20-25-11-2-4-13-27(25)38(29)41/h1-23H
InChIKeyAFEWGBFCCQFENK-UHFFFAOYSA-N
MW587.52 g/mol
LogP10.95
Rot. Bonds2

About 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole

7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole (PubChem CID 164534080) has the molecular formula C38H23BrN2 and a molecular weight of 587.52 g/mol. Its IUPAC name is 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole
PubChem CID164534080
Molecular FormulaC38H23BrN2
Molecular Weight587.52 g/mol
Exact Mass586.10
IUPAC Name7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole
SMILESBrc1c(-n2c3ccccc3c3c4ccccc4ccc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C38H23BrN2/c39-37-34(40-32-17-8-6-15-30(32)36-26-12-3-1-10-24(26)21-23-33(36)40)18-9-19-35(37)41-31-16-7-5-14-28(31)29-22-20-25-11-2-4-13-27(25)38(29)41/h1-23H
InChIKeyAFEWGBFCCQFENK-UHFFFAOYSA-N
XLogP10.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.52
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole
CID 164534086
2-benzo[a]carbazol-11-ylbenzonitrile;2-benzo[c]carbazol-7-ylbenzonitrile;ethane
CID 145009970
11-[2-bromo-3-(8-tert-butylbenzo[a]carbazol-11-yl)phenyl]-8-tert-butylbenzo[a]carbazole
CID 164534099
9-naphthalen-1-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162926
5-naphthalen-1-yl-12-(6-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole
CID 142482126
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
7-(2-iodophenyl)benzo[c]carbazole
CID 165179715
7-naphthalen-1-yl-3-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351193
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-6-[7-[11-(4-benzo[a]carbazol-11-yl-2,3-dicyanophenyl)benzo[a]carbazol-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-12-yl]benzene-1,2-dicarbonitrile
CID 167175543
5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038449

Frequently Asked Questions

What is the IUPAC name of 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole?
The IUPAC name of 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole (CID 164534080) is 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole.
What is the SMILES notation for 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole?
The canonical SMILES for 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole is Brc1c(-n2c3ccccc3c3c4ccccc4ccc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole?
The InChIKey is AFEWGBFCCQFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23BrN2/c39-37-34(40-32-17-8-6-15-30(32)36-26-12-3-1-10-24(26)21-23-33(36)40)18-9-19-35(37)41-31-16-7-5-14-28(31)29-22-20-25-11-2-4-13-27(25)38(29)41/h1-23H.
What are the key properties of 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole?
7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole has a molecular weight of 587.52 g/mol, XLogP of 10.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole is sourced from PubChem (CID 164534080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).