3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole

C25H18BrNO — CID 167351677

IUPAC3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole
SMILESCOc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C25H18BrNO/c1-28-21-14-18(13-19(26)16-21)17-11-12-25-23(15-17)22-9-5-6-10-24(22)27(25)20-7-3-2-4-8-20/h2-16H,1H3
InChIKeyAKOSIDWYRWEYBT-UHFFFAOYSA-N
MW428.33 g/mol
LogP7.22
Rot. Bonds3

About 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole

3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole (PubChem CID 167351677) has the molecular formula C25H18BrNO and a molecular weight of 428.33 g/mol. Its IUPAC name is 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole
PubChem CID167351677
Molecular FormulaC25H18BrNO
Molecular Weight428.33 g/mol
Exact Mass427.06
IUPAC Name3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole
SMILESCOc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C25H18BrNO/c1-28-21-14-18(13-19(26)16-21)17-11-12-25-23(15-17)22-9-5-6-10-24(22)27(25)20-7-3-2-4-8-20/h2-16H,1H3
InChIKeyAKOSIDWYRWEYBT-UHFFFAOYSA-N
XLogP7.22
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
3-[3-bromo-5-[9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;ethane;(2Z,4Z)-hexa-2,4-diene
CID 145133691
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole?
The IUPAC name of 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole (CID 167351677) is 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole is COc1cc(Br)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole?
The InChIKey is AKOSIDWYRWEYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO/c1-28-21-14-18(13-19(26)16-21)17-11-12-25-23(15-17)22-9-5-6-10-24(22)27(25)20-7-3-2-4-8-20/h2-16H,1H3.
What are the key properties of 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole?
3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole has a molecular weight of 428.33 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methoxyphenyl)-9-phenylcarbazole is sourced from PubChem (CID 167351677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).