1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole

C33H25N5 — CID 155327251

IUPAC1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole
SMILESCc1ccccc1-c1ccc2[nH]c3ccnc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c3c2c1
InChIInChI=1S/C33H25N5/c1-21-10-8-9-15-25(21)24-16-17-27-26(20-24)29-28(35-27)18-19-34-30(29)33-37-31(22-11-4-2-5-12-22)36-32(38-33)23-13-6-3-7-14-23/h2-20,31,35H,1H3,(H,36,37,38)
InChIKeySAPZCOVGFKAFHA-UHFFFAOYSA-N
MW491.60 g/mol
LogP7.19
Rot. Bonds4

About 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole

1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole (PubChem CID 155327251) has the molecular formula C33H25N5 and a molecular weight of 491.60 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole
PubChem CID155327251
Molecular FormulaC33H25N5
Molecular Weight491.60 g/mol
Exact Mass491.21
IUPAC Name1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole
SMILESCc1ccccc1-c1ccc2[nH]c3ccnc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c3c2c1
InChIInChI=1S/C33H25N5/c1-21-10-8-9-15-25(21)24-16-17-27-26(20-24)29-28(35-27)18-19-34-30(29)33-37-31(22-11-4-2-5-12-22)36-32(38-33)23-13-6-3-7-14-23/h2-20,31,35H,1H3,(H,36,37,38)
InChIKeySAPZCOVGFKAFHA-UHFFFAOYSA-N
XLogP7.19
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole (CID 155327251) is 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole is Cc1ccccc1-c1ccc2[nH]c3ccnc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c3c2c1.
What is the InChIKey of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole?
The InChIKey is SAPZCOVGFKAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5/c1-21-10-8-9-15-25(21)24-16-17-27-26(20-24)29-28(35-27)18-19-34-30(29)33-37-31(22-11-4-2-5-12-22)36-32(38-33)23-13-6-3-7-14-23/h2-20,31,35H,1H3,(H,36,37,38).
What are the key properties of 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole?
1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole has a molecular weight of 491.60 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-8-(2-methylphenyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 155327251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).