3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole

C40H26BrN — CID 118087614

IUPAC3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C40H26BrN/c41-31-21-22-40-38(26-31)37-18-8-9-20-39(37)42(40)32-24-29(35-17-7-6-16-33(35)27-11-2-1-3-12-27)23-30(25-32)36-19-10-14-28-13-4-5-15-34(28)36/h1-26H
InChIKeyASIIQJDODDKSNE-UHFFFAOYSA-N
MW600.56 g/mol
LogP11.70
Rot. Bonds4

About 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole

3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole (PubChem CID 118087614) has the molecular formula C40H26BrN and a molecular weight of 600.56 g/mol. Its IUPAC name is 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
PubChem CID118087614
Molecular FormulaC40H26BrN
Molecular Weight600.56 g/mol
Exact Mass599.12
IUPAC Name3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C40H26BrN/c41-31-21-22-40-38(26-31)37-18-8-9-20-39(37)42(40)32-24-29(35-17-7-6-16-33(35)27-11-2-1-3-12-27)23-30(25-32)36-19-10-14-28-13-4-5-15-34(28)36/h1-26H
InChIKeyASIIQJDODDKSNE-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

3-bromo-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 118087817
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
2-bromo-9-(4-naphthalen-1-ylphenyl)carbazole
CID 130250089
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
3-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 90177181

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole (CID 118087614) is 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2-c2ccccc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole?
The InChIKey is ASIIQJDODDKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26BrN/c41-31-21-22-40-38(26-31)37-18-8-9-20-39(37)42(40)32-24-29(35-17-7-6-16-33(35)27-11-2-1-3-12-27)23-30(25-32)36-19-10-14-28-13-4-5-15-34(28)36/h1-26H.
What are the key properties of 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole?
3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole 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 3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 118087614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).