2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole

C40H26BrN — CID 118349675

IUPAC2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole
SMILESBrc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C40H26BrN/c41-38-22-20-32(31-18-17-29-23-28(15-16-30(29)24-31)27-9-3-1-4-10-27)25-37(38)33-19-21-36-35-13-7-8-14-39(35)42(40(36)26-33)34-11-5-2-6-12-34/h1-26H
InChIKeyJJAHRKYOLFHGEM-UHFFFAOYSA-N
MW600.56 g/mol
LogP11.70
Rot. Bonds4

About 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole

2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 118349675) has the molecular formula C40H26BrN and a molecular weight of 600.56 g/mol. Its IUPAC name is 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole
PubChem CID118349675
Molecular FormulaC40H26BrN
Molecular Weight600.56 g/mol
Exact Mass599.12
IUPAC Name2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole
SMILESBrc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C40H26BrN/c41-38-22-20-32(31-18-17-29-23-28(15-16-30(29)24-31)27-9-3-1-4-10-27)25-37(38)33-19-21-36-35-13-7-8-14-39(35)42(40(36)26-33)34-11-5-2-6-12-34/h1-26H
InChIKeyJJAHRKYOLFHGEM-UHFFFAOYSA-N
XLogP11.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.56
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-bromophenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 90216170
2-[3-(2-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 90216183
2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 118337067
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
CID 118265947
9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155334848
2-(2-bromophenyl)-7,9-diphenylcarbazole;2-(2-bromophenyl)-9-naphthalen-1-ylcarbazole;2-(2-bromophenyl)-9-naphthalen-2-ylcarbazole;2-(2-bromophenyl)-9-phenylcarbazole;2-(2-bromophenyl)-9-(4-phenylphenyl)carbazole
CID 157414448
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 142314944
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole (CID 118349675) is 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole is Brc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is JJAHRKYOLFHGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26BrN/c41-38-22-20-32(31-18-17-29-23-28(15-16-30(29)24-31)27-9-3-1-4-10-27)25-37(38)33-19-21-36-35-13-7-8-14-39(35)42(40(36)26-33)34-11-5-2-6-12-34/h1-26H.
What are the key properties of 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole?
2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 600.56 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118349675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).