5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole

C38H23BrN2 — CID 164534086

IUPAC5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole
SMILESBrc1c(-n2c3ccccc3c3cc4ccccc4cc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C38H23BrN2/c39-37-34(40-32-16-7-6-15-29(32)31-22-25-11-1-2-12-26(25)23-36(31)40)18-9-19-35(37)41-33-17-8-5-14-28(33)30-21-20-24-10-3-4-13-27(24)38(30)41/h1-23H
InChIKeyQSPPNJPVMBBTNQ-UHFFFAOYSA-N
MW587.52 g/mol
LogP10.95
Rot. Bonds2

About 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole

5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole (PubChem CID 164534086) has the molecular formula C38H23BrN2 and a molecular weight of 587.52 g/mol. Its IUPAC name is 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole
PubChem CID164534086
Molecular FormulaC38H23BrN2
Molecular Weight587.52 g/mol
Exact Mass586.10
IUPAC Name5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole
SMILESBrc1c(-n2c3ccccc3c3cc4ccccc4cc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C38H23BrN2/c39-37-34(40-32-16-7-6-15-29(32)31-22-25-11-1-2-12-26(25)23-36(31)40)18-9-19-35(37)41-33-17-8-5-14-28(33)30-21-20-24-10-3-4-13-27(24)38(30)41/h1-23H
InChIKeyQSPPNJPVMBBTNQ-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

7-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[c]carbazole
CID 164534080
11-[2-bromo-3-(8-tert-butylbenzo[a]carbazol-11-yl)phenyl]-8-tert-butylbenzo[a]carbazole
CID 164534099
1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 155477453
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
22-dibenzothiophen-4-yl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122465489
4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
CID 168807795
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
1-benzo[a]carbazol-11-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159790900
3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477512

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole?
The IUPAC name of 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole (CID 164534086) is 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole.
What is the SMILES notation for 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole?
The canonical SMILES for 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole is Brc1c(-n2c3ccccc3c3cc4ccccc4cc32)cccc1-n1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole?
The InChIKey is QSPPNJPVMBBTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23BrN2/c39-37-34(40-32-16-7-6-15-29(32)31-22-25-11-1-2-12-26(25)23-36(31)40)18-9-19-35(37)41-33-17-8-5-14-28(33)30-21-20-24-10-3-4-13-27(24)38(30)41/h1-23H.
What are the key properties of 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole?
5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]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 5-(3-benzo[a]carbazol-11-yl-2-bromophenyl)benzo[b]carbazole is sourced from PubChem (CID 164534086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).