9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one

C32H21N5O — CID 155137996

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one
SMILESO=c1[nH]cc(-c2ccccc2)c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12
InChIInChI=1S/C32H21N5O/c38-31-28-27(25(20-33-31)21-12-4-1-5-13-21)24-18-10-11-19-26(24)37(28)32-35-29(22-14-6-2-7-15-22)34-30(36-32)23-16-8-3-9-17-23/h1-20H,(H,33,38)
InChIKeyRLOVSZUEVHZJEB-UHFFFAOYSA-N
MW491.55 g/mol
LogP6.66
Rot. Bonds4

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one (PubChem CID 155137996) has the molecular formula C32H21N5O and a molecular weight of 491.55 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one
PubChem CID155137996
Molecular FormulaC32H21N5O
Molecular Weight491.55 g/mol
Exact Mass491.17
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one
SMILESO=c1[nH]cc(-c2ccccc2)c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12
InChIInChI=1S/C32H21N5O/c38-31-28-27(25(20-33-31)21-12-4-1-5-13-21)24-18-10-11-19-26(24)37(28)32-35-29(22-14-6-2-7-15-22)34-30(36-32)23-16-8-3-9-17-23/h1-20H,(H,33,38)
InChIKeyRLOVSZUEVHZJEB-UHFFFAOYSA-N
XLogP6.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-2H-pyrido[3,4-b]indol-1-one
CID 155694502
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,20-diphenyl-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786365
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2,3,4-tetraphenylcarbazole
CID 131997783
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170255512
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-diphenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-12-one
CID 155137834
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one (CID 155137996) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one is O=c1[nH]cc(-c2ccccc2)c2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is RLOVSZUEVHZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5O/c38-31-28-27(25(20-33-31)21-12-4-1-5-13-21)24-18-10-11-19-26(24)37(28)32-35-29(22-14-6-2-7-15-22)34-30(36-32)23-16-8-3-9-17-23/h1-20H,(H,33,38).
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 491.55 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 155137996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).