2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole

C32H27N5 — CID 129099185

IUPAC2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3c(C4Nc5ccccc5N4)ccc4ccccc34)N2)cc1
InChIInChI=1S/C32H27N5/c1-3-12-22(13-4-1)29-35-30(23-14-5-2-6-15-23)37-32(36-29)28-24-16-8-7-11-21(24)19-20-25(28)31-33-26-17-9-10-18-27(26)34-31/h1-20,29,31-34,36H,(H,35,37)
InChIKeyNESDCYPTMQDMRS-UHFFFAOYSA-N
MW481.60 g/mol
LogP6.71
Rot. Bonds4

About 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole

2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole (PubChem CID 129099185) has the molecular formula C32H27N5 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
PubChem CID129099185
Molecular FormulaC32H27N5
Molecular Weight481.60 g/mol
Exact Mass481.23
IUPAC Name2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3c(C4Nc5ccccc5N4)ccc4ccccc34)N2)cc1
InChIInChI=1S/C32H27N5/c1-3-12-22(13-4-1)29-35-30(23-14-5-2-6-15-23)37-32(36-29)28-24-16-8-7-11-21(24)19-20-25(28)31-33-26-17-9-10-18-27(26)34-31/h1-20,29,31-34,36H,(H,35,37)
InChIKeyNESDCYPTMQDMRS-UHFFFAOYSA-N
XLogP6.71
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 56.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1,3-benzoxazole
CID 129099820
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099481
2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099671
2-[1-(4-naphthalen-1-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099479
6-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 118952140
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184
(Z)-1-[4-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4-phenylbut-2-ene-1,4-diimine
CID 129099823
2-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120
4,6-diphenyl-2-[3-[1-(4-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145415056

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole (CID 129099185) is 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole is c1ccc(C2=NC(c3ccccc3)NC(c3c(C4Nc5ccccc5N4)ccc4ccccc34)N2)cc1.
What is the InChIKey of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole?
The InChIKey is NESDCYPTMQDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5/c1-3-12-22(13-4-1)29-35-30(23-14-5-2-6-15-23)37-32(36-29)28-24-16-8-7-11-21(24)19-20-25(28)31-33-26-17-9-10-18-27(26)34-31/h1-20,29,31-34,36H,(H,35,37).
What are the key properties of 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole?
2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole has a molecular weight of 481.60 g/mol, XLogP of 6.71, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-2-yl]-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 129099185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).