8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole

C32H22N6 — CID 139496528

IUPAC8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
SMILESCc1nccn1-c1ccc2c(c1)c1ncccc1n2-c1ccc2c(c1)c1ncccc1n2-c1ccccc1
InChIInChI=1S/C32H22N6/c1-21-33-17-18-36(21)23-11-13-28-25(19-23)31-30(10-6-16-34-31)38(28)24-12-14-27-26(20-24)32-29(9-5-15-35-32)37(27)22-7-3-2-4-8-22/h2-20H,1H3
InChIKeyPEEVSQNMEODZHW-UHFFFAOYSA-N
MW490.57 g/mol
LogP7.16
Rot. Bonds3

About 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole

8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole (PubChem CID 139496528) has the molecular formula C32H22N6 and a molecular weight of 490.57 g/mol. Its IUPAC name is 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
PubChem CID139496528
Molecular FormulaC32H22N6
Molecular Weight490.57 g/mol
Exact Mass490.19
IUPAC Name8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
SMILESCc1nccn1-c1ccc2c(c1)c1ncccc1n2-c1ccc2c(c1)c1ncccc1n2-c1ccccc1
InChIInChI=1S/C32H22N6/c1-21-33-17-18-36(21)23-11-13-28-25(19-23)31-30(10-6-16-34-31)38(28)24-12-14-27-26(20-24)32-29(9-5-15-35-32)37(27)22-7-3-2-4-8-22/h2-20H,1H3
InChIKeyPEEVSQNMEODZHW-UHFFFAOYSA-N
XLogP7.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
CID 140820363
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene
CID 134428301
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
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 171765135
diphenyl-bis[3-(8-triphenylsilylpyrido[3,2-b]indol-5-yl)phenyl]silane
CID 90193795
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene
CID 138474733
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
5-[3,5-bis(ethenyl)phenyl]-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 134274167

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole?
The IUPAC name of 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole (CID 139496528) is 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole?
The canonical SMILES for 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole is Cc1nccn1-c1ccc2c(c1)c1ncccc1n2-c1ccc2c(c1)c1ncccc1n2-c1ccccc1.
What is the InChIKey of 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole?
The InChIKey is PEEVSQNMEODZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N6/c1-21-33-17-18-36(21)23-11-13-28-25(19-23)31-30(10-6-16-34-31)38(28)24-12-14-27-26(20-24)32-29(9-5-15-35-32)37(27)22-7-3-2-4-8-22/h2-20H,1H3.
What are the key properties of 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole?
8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole has a molecular weight of 490.57 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 139496528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).