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

C41H35N5 — CID 129099481

IUPAC2-[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
SMILESC1=C(c2ccccc2)NC(c2c(C3NC(c4ccccc4)=NC(c4ccccc4)N3)ccc3ccccc23)NC1c1ccccc1
InChIInChI=1S/C41H35N5/c1-5-16-29(17-6-1)35-27-36(30-18-7-2-8-19-30)43-41(42-35)37-33-24-14-13-15-28(33)25-26-34(37)40-45-38(31-20-9-3-10-21-31)44-39(46-40)32-22-11-4-12-23-32/h1-27,35,38,40-43,45H,(H,44,46)
InChIKeyRWCWZMIUSYDBER-UHFFFAOYSA-N
MW597.77 g/mol
LogP8.15
Rot. Bonds6

About 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

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 (PubChem CID 129099481) has the molecular formula C41H35N5 and a molecular weight of 597.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID129099481
Molecular FormulaC41H35N5
Molecular Weight597.77 g/mol
Exact Mass597.29
IUPAC Name2-[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
SMILESC1=C(c2ccccc2)NC(c2c(C3NC(c4ccccc4)=NC(c4ccccc4)N3)ccc3ccccc23)NC1c1ccccc1
InChIInChI=1S/C41H35N5/c1-5-16-29(17-6-1)35-27-36(30-18-7-2-8-19-30)43-41(42-35)37-33-24-14-13-15-28(33)25-26-34(37)40-45-38(31-20-9-3-10-21-31)44-39(46-40)32-22-11-4-12-23-32/h1-27,35,38,40-43,45H,(H,44,46)
InChIKeyRWCWZMIUSYDBER-UHFFFAOYSA-N
XLogP8.15
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.77
LogP ≤ 58.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 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

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
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
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
2-[2-(4-naphthalen-1-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazinane
CID 129099180
2-[2-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099445
2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099671
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
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-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane
CID 129099634
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
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(c2ccccc2)NC(c2c(C3NC(c4ccccc4)=NC(c4ccccc4)N3)ccc3ccccc23)NC1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is RWCWZMIUSYDBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N5/c1-5-16-29(17-6-1)35-27-36(30-18-7-2-8-19-30)43-41(42-35)37-33-24-14-13-15-28(33)25-26-34(37)40-45-38(31-20-9-3-10-21-31)44-39(46-40)32-22-11-4-12-23-32/h1-27,35,38,40-43,45H,(H,44,46).
What are the key properties of 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?
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 has a molecular weight of 597.77 g/mol, XLogP of 8.15, 6 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-tetrahydropyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129099481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).