2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine

C32H22ClN3O — CID 174305803

IUPAC2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESCC1C=Cc2cc3c(cc2C1)oc1cc(-c2nc(-c4ccccc4)nc(-c4ccc(Cl)cc4)n2)ccc13
InChIInChI=1S/C32H22ClN3O/c1-19-7-8-22-16-27-26-14-11-23(17-28(26)37-29(27)18-24(22)15-19)32-35-30(20-5-3-2-4-6-20)34-31(36-32)21-9-12-25(33)13-10-21/h2-14,16-19H,15H2,1H3
InChIKeySHGFHRIKYMCPTL-UHFFFAOYSA-N
MW500.00 g/mol
LogP8.63
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 174305803) has the molecular formula C32H22ClN3O and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID174305803
Molecular FormulaC32H22ClN3O
Molecular Weight500.00 g/mol
Exact Mass499.15
IUPAC Name2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESCC1C=Cc2cc3c(cc2C1)oc1cc(-c2nc(-c4ccccc4)nc(-c4ccc(Cl)cc4)n2)ccc13
InChIInChI=1S/C32H22ClN3O/c1-19-7-8-22-16-27-26-14-11-23(17-28(26)37-29(27)18-24(22)15-19)32-35-30(20-5-3-2-4-6-20)34-31(36-32)21-9-12-25(33)13-10-21/h2-14,16-19H,15H2,1H3
InChIKeySHGFHRIKYMCPTL-UHFFFAOYSA-N
XLogP8.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.00
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166656528
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174001218
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 166952902
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 174305803) is 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine is CC1C=Cc2cc3c(cc2C1)oc1cc(-c2nc(-c4ccccc4)nc(-c4ccc(Cl)cc4)n2)ccc13.
What is the InChIKey of 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is SHGFHRIKYMCPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22ClN3O/c1-19-7-8-22-16-27-26-14-11-23(17-28(26)37-29(27)18-24(22)15-19)32-35-30(20-5-3-2-4-6-20)34-31(36-32)21-9-12-25(33)13-10-21/h2-14,16-19H,15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine?
2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 500.00 g/mol, XLogP of 8.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174305803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).