7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole

C23H15BrN2 — CID 129221567

IUPAC7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole
SMILESBrc1ccc2c3cccnc3n(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C23H15BrN2/c24-18-10-13-20-21-7-4-14-25-23(21)26(22(20)15-18)19-11-8-17(9-12-19)16-5-2-1-3-6-16/h1-15H
InChIKeyDITYOEQODWTOIK-UHFFFAOYSA-N
MW399.29 g/mol
LogP6.61
Rot. Bonds2

About 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole

7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole (PubChem CID 129221567) has the molecular formula C23H15BrN2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole
PubChem CID129221567
Molecular FormulaC23H15BrN2
Molecular Weight399.29 g/mol
Exact Mass398.04
IUPAC Name7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole
SMILESBrc1ccc2c3cccnc3n(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C23H15BrN2/c24-18-10-13-20-21-7-4-14-25-23(21)26(22(20)15-18)19-11-8-17(9-12-19)16-5-2-1-3-6-16/h1-15H
InChIKeyDITYOEQODWTOIK-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

9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
6-bromo-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;6-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[2,3-b]indole;6-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[2,3-b]indole
CID 160560725
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
2-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587038
7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole;1-bromo-9-phenylpyrido[3,4-b]indole;4-bromo-5-phenylpyrido[3,2-b]indole;4-bromo-5-phenylpyrido[4,3-b]indole;7-bromo-9-phenylpyrido[2,3-b]indole
CID 158011398
2-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118587549
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
9-phenylpyrido[2,3-b]indole
CID 15939260
2-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;(9-phenylcarbazol-3-yl)boronic acid
CID 159100992

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole (CID 129221567) is 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole is Brc1ccc2c3cccnc3n(-c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole?
The InChIKey is DITYOEQODWTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2/c24-18-10-13-20-21-7-4-14-25-23(21)26(22(20)15-18)19-11-8-17(9-12-19)16-5-2-1-3-6-16/h1-15H.
What are the key properties of 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole?
7-bromo-9-(4-phenylphenyl)pyrido[2,3-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 7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 129221567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).