9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole

C38H33N5 — CID 146390190

IUPAC9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole
SMILESC1=CC(n2c3c(c4ccccc42)CCC(c2ccccc2)=C3)NC=C1C1N=C(c2ccccc2)NC(c2ccccc2)N1
InChIInChI=1S/C38H33N5/c1-4-12-26(13-5-1)29-20-22-32-31-18-10-11-19-33(31)43(34(32)24-29)35-23-21-30(25-39-35)38-41-36(27-14-6-2-7-15-27)40-37(42-38)28-16-8-3-9-17-28/h1-19,21,23-25,35-36,38-39,41H,20,22H2,(H,40,42)
InChIKeyQVRYNFLXXSTMFW-UHFFFAOYSA-N
MW559.72 g/mol
LogP7.33
Rot. Bonds5

About 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole

9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole (PubChem CID 146390190) has the molecular formula C38H33N5 and a molecular weight of 559.72 g/mol. Its IUPAC name is 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole
PubChem CID146390190
Molecular FormulaC38H33N5
Molecular Weight559.72 g/mol
Exact Mass559.27
IUPAC Name9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole
SMILESC1=CC(n2c3c(c4ccccc42)CCC(c2ccccc2)=C3)NC=C1C1N=C(c2ccccc2)NC(c2ccccc2)N1
InChIInChI=1S/C38H33N5/c1-4-12-26(13-5-1)29-20-22-32-31-18-10-11-19-33(31)43(34(32)24-29)35-23-21-30(25-39-35)38-41-36(27-14-6-2-7-15-27)40-37(42-38)28-16-8-3-9-17-28/h1-19,21,23-25,35-36,38-39,41H,20,22H2,(H,40,42)
InChIKeyQVRYNFLXXSTMFW-UHFFFAOYSA-N
XLogP7.33
TPSA53.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.72
LogP ≤ 57.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole 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

5-[5-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 166750479
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 126700298
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129128255
30-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)cyclohexa-2,4-dien-1-yl]-31-oxa-13,18,30-triazanonacyclo[16.10.1.12,6.13,28.114,17.07,12.019,24.025,29.013,32]dotriaconta-1(28),2,4,6(32),7,9,11,19,21,23,25(29),26-dodecaene
CID 129276661
4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139304267
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962970
2-[10-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099099
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole (CID 146390190) is 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole is C1=CC(n2c3c(c4ccccc42)CCC(c2ccccc2)=C3)NC=C1C1N=C(c2ccccc2)NC(c2ccccc2)N1.
What is the InChIKey of 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole?
The InChIKey is QVRYNFLXXSTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5/c1-4-12-26(13-5-1)29-20-22-32-31-18-10-11-19-33(31)43(34(32)24-29)35-23-21-30(25-39-35)38-41-36(27-14-6-2-7-15-27)40-37(42-38)28-16-8-3-9-17-28/h1-19,21,23-25,35-36,38-39,41H,20,22H2,(H,40,42).
What are the key properties of 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole?
9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole has a molecular weight of 559.72 g/mol, XLogP of 7.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-2-yl]-2-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 146390190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).