8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole

C23H15BrN2 — CID 70663911

IUPAC8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)cc1
InChIInChI=1S/C23H15BrN2/c24-18-9-6-16(7-10-18)17-8-11-22-20(14-17)21-15-25-13-12-23(21)26(22)19-4-2-1-3-5-19/h1-15H
InChIKeyGLYMTAHWUGZWAW-UHFFFAOYSA-N
MW399.29 g/mol
LogP6.61
Rot. Bonds2

About 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole

8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole (PubChem CID 70663911) has the molecular formula C23H15BrN2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
PubChem CID70663911
Molecular FormulaC23H15BrN2
Molecular Weight399.29 g/mol
Exact Mass398.04
IUPAC Name8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
SMILESBrc1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)cc1
InChIInChI=1S/C23H15BrN2/c24-18-9-6-16(7-10-18)17-8-11-22-20(14-17)21-15-25-13-12-23(21)26(22)19-4-2-1-3-5-19/h1-15H
InChIKeyGLYMTAHWUGZWAW-UHFFFAOYSA-N
XLogP6.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
7-bromo-5-phenylpyrido[4,3-b]indole
CID 129221574
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole (CID 70663911) is 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole is Brc1ccc(-c2ccc3c(c2)c2cnccc2n3-c2ccccc2)cc1.
What is the InChIKey of 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole?
The InChIKey is GLYMTAHWUGZWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2/c24-18-9-6-16(7-10-18)17-8-11-22-20(14-17)21-15-25-13-12-23(21)26(22)19-4-2-1-3-5-19/h1-15H.
What are the key properties of 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole?
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole has a molecular weight of 399.29 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 70663911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).