6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine

C31H20N6 — CID 118243330

IUPAC6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-c4cccc5c4Cc4cccnc4-5)nc3)n2)cc1
InChIInChI=1S/C31H20N6/c1-3-9-20(10-4-1)28-35-29(21-11-5-2-6-12-21)37-30(36-28)23-18-33-31(34-19-23)25-15-7-14-24-26(25)17-22-13-8-16-32-27(22)24/h1-16,18-19H,17H2
InChIKeyNJEOIRZWVGXRBE-UHFFFAOYSA-N
MW476.54 g/mol
LogP6.30
Rot. Bonds4

About 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine

6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine (PubChem CID 118243330) has the molecular formula C31H20N6 and a molecular weight of 476.54 g/mol. Its IUPAC name is 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine
PubChem CID118243330
Molecular FormulaC31H20N6
Molecular Weight476.54 g/mol
Exact Mass476.17
IUPAC Name6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-c4cccc5c4Cc4cccnc4-5)nc3)n2)cc1
InChIInChI=1S/C31H20N6/c1-3-9-20(10-4-1)28-35-29(21-11-5-2-6-12-21)37-30(36-28)23-18-33-31(34-19-23)25-15-7-14-24-26(25)17-22-13-8-16-32-27(22)24/h1-16,18-19H,17H2
InChIKeyNJEOIRZWVGXRBE-UHFFFAOYSA-N
XLogP6.30
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine with MolForge

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Related Compounds

6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 118243329
8-(9H-fluoren-1-yl)quinoline
CID 151254514
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118243339
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5H-indeno[1,2-d]pyrimidine;4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-5H-indeno[1,2-d]pyrimidine;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-5-yl]-5H-indeno[1,2-d]pyrimidine
CID 162236025

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine?
The IUPAC name of 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine (CID 118243330) is 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine.
What is the SMILES notation for 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine?
The canonical SMILES for 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-c4cccc5c4Cc4cccnc4-5)nc3)n2)cc1.
What is the InChIKey of 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine?
The InChIKey is NJEOIRZWVGXRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N6/c1-3-9-20(10-4-1)28-35-29(21-11-5-2-6-12-21)37-30(36-28)23-18-33-31(34-19-23)25-15-7-14-24-26(25)17-22-13-8-16-32-27(22)24/h1-16,18-19H,17H2.
What are the key properties of 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine?
6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine has a molecular weight of 476.54 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine is sourced from PubChem (CID 118243330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).