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

C43H37N5 — CID 129099445

IUPAC2-[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
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3ccccc3C3NC(c4ccccc4)=NC(c4ccccc4)N3)cc2)NC1c1ccccc1
InChIInChI=1S/C43H37N5/c1-5-15-31(16-6-1)38-29-39(32-17-7-2-8-18-32)45-40(44-38)35-27-25-30(26-28-35)36-23-13-14-24-37(36)43-47-41(33-19-9-3-10-20-33)46-42(48-43)34-21-11-4-12-22-34/h1-29,38,40-41,43-45,47H,(H,46,48)
InChIKeyDZCBSTGCXHNZHA-UHFFFAOYSA-N
MW623.80 g/mol
LogP8.66
Rot. Bonds7

About 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

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 (PubChem CID 129099445) has the molecular formula C43H37N5 and a molecular weight of 623.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID129099445
Molecular FormulaC43H37N5
Molecular Weight623.80 g/mol
Exact Mass623.30
IUPAC Name2-[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
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3ccccc3C3NC(c4ccccc4)=NC(c4ccccc4)N3)cc2)NC1c1ccccc1
InChIInChI=1S/C43H37N5/c1-5-15-31(16-6-1)38-29-39(32-17-7-2-8-18-32)45-40(44-38)35-27-25-30(26-28-35)36-23-13-14-24-37(36)43-47-41(33-19-9-3-10-20-33)46-42(48-43)34-21-11-4-12-22-34/h1-29,38,40-41,43-45,47H,(H,46,48)
InChIKeyDZCBSTGCXHNZHA-UHFFFAOYSA-N
XLogP8.66
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 58.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-3-(4-fluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267887
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 129099191
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
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170277804
4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139304267
2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129228006
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(c2ccccc2)NC(c2ccc(-c3ccccc3C3NC(c4ccccc4)=NC(c4ccccc4)N3)cc2)NC1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is DZCBSTGCXHNZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N5/c1-5-15-31(16-6-1)38-29-39(32-17-7-2-8-18-32)45-40(44-38)35-27-25-30(26-28-35)36-23-13-14-24-37(36)43-47-41(33-19-9-3-10-20-33)46-42(48-43)34-21-11-4-12-22-34/h1-29,38,40-41,43-45,47H,(H,46,48).
What are the key properties of 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?
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 has a molecular weight of 623.80 g/mol, XLogP of 8.66, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129099445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).