1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole

C29H24N4 — CID 153423387

IUPAC1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole
SMILESCc1cc2c(c(C)n1)c1cccc(-c3cccc(-c4cn(C)cn4)c3)c1n2-c1ccccc1
InChIInChI=1S/C29H24N4/c1-19-15-27-28(20(2)31-19)25-14-8-13-24(29(25)33(27)23-11-5-4-6-12-23)21-9-7-10-22(16-21)26-17-32(3)18-30-26/h4-18H,1-3H3
InChIKeyXRHBYLYGEHVPHT-UHFFFAOYSA-N
MW428.54 g/mol
LogP6.86
Rot. Bonds3

About 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole

1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole (PubChem CID 153423387) has the molecular formula C29H24N4 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole
PubChem CID153423387
Molecular FormulaC29H24N4
Molecular Weight428.54 g/mol
Exact Mass428.20
IUPAC Name1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole
SMILESCc1cc2c(c(C)n1)c1cccc(-c3cccc(-c4cn(C)cn4)c3)c1n2-c1ccccc1
InChIInChI=1S/C29H24N4/c1-19-15-27-28(20(2)31-19)25-14-8-13-24(29(25)33(27)23-11-5-4-6-12-23)21-9-7-10-22(16-21)26-17-32(3)18-30-26/h4-18H,1-3H3
InChIKeyXRHBYLYGEHVPHT-UHFFFAOYSA-N
XLogP6.86
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
CID 121449215
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-phenyl-1-[3-[5-[3-(9-phenylcarbazol-1-yl)phenyl]furan-2-yl]phenyl]carbazole
CID 71127207
3-methyl-9-(3-methylphenyl)-5-[3-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 146182046
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
CID 118299151
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole (CID 153423387) is 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole is Cc1cc2c(c(C)n1)c1cccc(-c3cccc(-c4cn(C)cn4)c3)c1n2-c1ccccc1.
What is the InChIKey of 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is XRHBYLYGEHVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4/c1-19-15-27-28(20(2)31-19)25-14-8-13-24(29(25)33(27)23-11-5-4-6-12-23)21-9-7-10-22(16-21)26-17-32(3)18-30-26/h4-18H,1-3H3.
What are the key properties of 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole?
1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 428.54 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[3-(1-methylimidazol-4-yl)phenyl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 153423387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).