5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole

C35H28N4 — CID 140820363

IUPAC5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
SMILESCc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1-c1ccc2c(c1)c1ncccc1n2-c1ccccc1
InChIInChI=1S/C35H28N4/c1-23-21-24(2)34(38-20-19-37-35(38)26-11-6-4-7-12-26)25(3)32(23)27-16-17-30-29(22-27)33-31(15-10-18-36-33)39(30)28-13-8-5-9-14-28/h4-22H,1-3H3
InChIKeyPPTRUHLHXGFZHQ-UHFFFAOYSA-N
MW504.64 g/mol
LogP8.62
Rot. Bonds4

About 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole

5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 140820363) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
PubChem CID140820363
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC Name5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
SMILESCc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1-c1ccc2c(c1)c1ncccc1n2-c1ccccc1
InChIInChI=1S/C35H28N4/c1-23-21-24(2)34(38-20-19-37-35(38)26-11-6-4-7-12-26)25(3)32(23)27-16-17-30-29(22-27)33-31(15-10-18-36-33)39(30)28-13-8-5-9-14-28/h4-22H,1-3H3
InChIKeyPPTRUHLHXGFZHQ-UHFFFAOYSA-N
XLogP8.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

iridium(3+);tris(5-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-7H-pyrido[3,2-b]indol-7-ide)
CID 59348225
8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
CID 139496528
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
diphenyl-(4-phenylphenyl)-(5-phenylpyrido[3,2-b]indol-8-yl)silane
CID 159265035
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 129222031
5-[2-carbazol-9-yl-4-phenyl-5,6-bis(pyrido[3,2-b]indol-5-yl)-3-pyridinyl]pyrido[3,2-b]indole;9-phenyl-2-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-phenyl-3-pyridinyl]carbazole
CID 161013435
9-[6-[3-(9H-fluoren-3-yl)-2,4,6-trimethyl-5-(2-phenylimidazol-1-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 144541469

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole (CID 140820363) is 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole is Cc1cc(C)c(-n2ccnc2-c2ccccc2)c(C)c1-c1ccc2c(c1)c1ncccc1n2-c1ccccc1.
What is the InChIKey of 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is PPTRUHLHXGFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4/c1-23-21-24(2)34(38-20-19-37-35(38)26-11-6-4-7-12-26)25(3)32(23)27-16-17-30-29(22-27)33-31(15-10-18-36-33)39(30)28-13-8-5-9-14-28/h4-22H,1-3H3.
What are the key properties of 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole?
5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 504.64 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 140820363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).