5-bromo-11-phenylbenzo[a]carbazole

C22H14BrN — CID 58410432

IUPAC5-bromo-11-phenylbenzo[a]carbazole
SMILESBrc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C22H14BrN/c23-20-14-19-17-11-6-7-13-21(17)24(15-8-2-1-3-9-15)22(19)18-12-5-4-10-16(18)20/h1-14H
InChIKeyFEANXXZXEFEMOW-UHFFFAOYSA-N
MW372.27 g/mol
LogP6.70
Rot. Bonds1

About 5-bromo-11-phenylbenzo[a]carbazole

5-bromo-11-phenylbenzo[a]carbazole (PubChem CID 58410432) has the molecular formula C22H14BrN and a molecular weight of 372.27 g/mol. Its IUPAC name is 5-bromo-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name5-bromo-11-phenylbenzo[a]carbazole
PubChem CID58410432
Molecular FormulaC22H14BrN
Molecular Weight372.27 g/mol
Exact Mass371.03
IUPAC Name5-bromo-11-phenylbenzo[a]carbazole
SMILESBrc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C22H14BrN/c23-20-14-19-17-11-6-7-13-21(17)24(15-8-2-1-3-9-15)22(19)18-12-5-4-10-16(18)20/h1-14H
InChIKeyFEANXXZXEFEMOW-UHFFFAOYSA-N
XLogP6.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 161207520
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5-bromo-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 142712012
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
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11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
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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
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
1-bromo-9-(3-fluorophenyl)carbazole
CID 142752208
11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole
CID 90014465
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
CID 163799671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-11-phenylbenzo[a]carbazole?
The IUPAC name of 5-bromo-11-phenylbenzo[a]carbazole (CID 58410432) is 5-bromo-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 5-bromo-11-phenylbenzo[a]carbazole?
The canonical SMILES for 5-bromo-11-phenylbenzo[a]carbazole is Brc1cc2c3ccccc3n(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 5-bromo-11-phenylbenzo[a]carbazole?
The InChIKey is FEANXXZXEFEMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN/c23-20-14-19-17-11-6-7-13-21(17)24(15-8-2-1-3-9-15)22(19)18-12-5-4-10-16(18)20/h1-14H.
What are the key properties of 5-bromo-11-phenylbenzo[a]carbazole?
5-bromo-11-phenylbenzo[a]carbazole has a molecular weight of 372.27 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 58410432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).