2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde

C25H16BrNO — CID 134338050

IUPAC2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde
SMILESO=Cc1c(Br)cccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C25H16BrNO/c26-23-11-6-10-19(22(23)16-28)17-13-14-25-21(15-17)20-9-4-5-12-24(20)27(25)18-7-2-1-3-8-18/h1-16H
InChIKeyINYLLISBWAQTBC-UHFFFAOYSA-N
MW426.31 g/mol
LogP7.03
Rot. Bonds3

About 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde

2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde (PubChem CID 134338050) has the molecular formula C25H16BrNO and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde
PubChem CID134338050
Molecular FormulaC25H16BrNO
Molecular Weight426.31 g/mol
Exact Mass425.04
IUPAC Name2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde
SMILESO=Cc1c(Br)cccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C25H16BrNO/c26-23-11-6-10-19(22(23)16-28)17-13-14-25-21(15-17)20-9-4-5-12-24(20)27(25)18-7-2-1-3-8-18/h1-16H
InChIKeyINYLLISBWAQTBC-UHFFFAOYSA-N
XLogP7.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 164756576
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
4-(2-bromophenyl)-15-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 135208931
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142720413
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde?
The IUPAC name of 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde (CID 134338050) is 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde.
What is the SMILES notation for 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde?
The canonical SMILES for 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde is O=Cc1c(Br)cccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde?
The InChIKey is INYLLISBWAQTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrNO/c26-23-11-6-10-19(22(23)16-28)17-13-14-25-21(15-17)20-9-4-5-12-24(20)27(25)18-7-2-1-3-8-18/h1-16H.
What are the key properties of 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde?
2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde has a molecular weight of 426.31 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde is sourced from PubChem (CID 134338050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).