6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole

C23H17N3 — CID 121339815

IUPAC6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole
SMILESCc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccncc2)cc1
InChIInChI=1S/C23H17N3/c1-16-4-6-17(7-5-16)18-8-9-22-21(15-18)20-3-2-12-25-23(20)26(22)19-10-13-24-14-11-19/h2-15H,1H3
InChIKeyKMZFELPFIRUTDJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.55
Rot. Bonds2

About 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole

6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole (PubChem CID 121339815) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole
PubChem CID121339815
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole
SMILESCc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccncc2)cc1
InChIInChI=1S/C23H17N3/c1-16-4-6-17(7-5-16)18-8-9-22-21(15-18)20-3-2-12-25-23(20)26(22)19-10-13-24-14-11-19/h2-15H,1H3
InChIKeyKMZFELPFIRUTDJ-UHFFFAOYSA-N
XLogP5.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
N-(4-phenylphenyl)-3-(9-phenylpyrido[2,3-b]indol-6-yl)aniline
CID 151073057
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
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
9-[4-[4-(3-methylphenyl)phenyl]phenyl]-6-[3-(10-phenylanthracen-9-yl)-5-(trifluoromethyl)phenyl]pyrido[2,3-b]indole
CID 130450011
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
ethane;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-phenylcarbazole;5-methyl-8-phenylpyrido[3,2-b]indole;5-methyl-8-phenylpyrido[4,3-b]indole;9-methyl-6-phenylpyrido[2,3-b]indole;heptakis(pyridine)
CID 161459546
9-(3-carbazol-9-ylphenyl)carbazole;9-(3-carbazol-9-ylphenyl)-3-methylcarbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-(3-carbazol-9-ylphenyl)pyrido[2,3-b]indole;9-(3-carbazol-9-ylphenyl)pyrido[3,4-b]indole;9-(5-carbazol-9-yl-3-pyridinyl)carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 158996783
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole?
The IUPAC name of 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole (CID 121339815) is 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole.
What is the SMILES notation for 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole?
The canonical SMILES for 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole is Cc1ccc(-c2ccc3c(c2)c2cccnc2n3-c2ccncc2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole?
The InChIKey is KMZFELPFIRUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-16-4-6-17(7-5-16)18-8-9-22-21(15-18)20-3-2-12-25-23(20)26(22)19-10-13-24-14-11-19/h2-15H,1H3.
What are the key properties of 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole?
6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole has a molecular weight of 335.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole is sourced from PubChem (CID 121339815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).