2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C38H29N3O — CID 170229357

IUPAC2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1CC=Cc2ccc(-c3ccc4oc5c(c4c3)C(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)=CCC5)cc21
InChIInChI=1S/C38H29N3O/c1-24-10-8-15-25-18-19-28(22-31(24)25)29-20-21-33-32(23-29)35-30(16-9-17-34(35)42-33)38-40-36(26-11-4-2-5-12-26)39-37(41-38)27-13-6-3-7-14-27/h2-8,11-16,18-24H,9-10,17H2,1H3
InChIKeyUOPFIWCRSOPXEI-UHFFFAOYSA-N
MW543.67 g/mol
LogP9.52
Rot. Bonds4

About 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170229357) has the molecular formula C38H29N3O and a molecular weight of 543.67 g/mol. Its IUPAC name is 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170229357
Molecular FormulaC38H29N3O
Molecular Weight543.67 g/mol
Exact Mass543.23
IUPAC Name2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1CC=Cc2ccc(-c3ccc4oc5c(c4c3)C(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)=CCC5)cc21
InChIInChI=1S/C38H29N3O/c1-24-10-8-15-25-18-19-28(22-31(24)25)29-20-21-33-32(23-29)35-30(16-9-17-34(35)42-33)38-40-36(26-11-4-2-5-12-26)39-37(41-38)27-13-6-3-7-14-27/h2-8,11-16,18-24H,9-10,17H2,1H3
InChIKeyUOPFIWCRSOPXEI-UHFFFAOYSA-N
XLogP9.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170226014
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)-4-phenyl-6-(8-phenyl-3,4-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170228629
2-dibenzofuran-1-yl-4-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170423744
2-(3,4-dihydrodibenzofuran-1-yl)-4-[4-(8-naphthalen-2-yldibenzofuran-1-yl)-2,3-dihydronaphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167007605
2-dibenzofuran-1-yl-4-(6-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170221616
2-[7-[4-(2-methoxy-5,6-dihydronaphthalen-1-yl)phenyl]-3,4-dihydrodibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170143078
2-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-4-(7-naphtho[2,1-b][1]benzofuran-9-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170231123
2-(1,2-dihydrophenanthren-9-yl)-4-(4-methyl-8-naphtho[1,2-b][1]benzothiol-8-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170128765
2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170011502
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-[4-(8-methyl-7,8-dihydronaphthalen-2-yl)phenyl]-4-(3-naphthalen-2-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 134320986

Frequently Asked Questions

What is the IUPAC name of 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 170229357) is 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is CC1CC=Cc2ccc(-c3ccc4oc5c(c4c3)C(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)=CCC5)cc21.
What is the InChIKey of 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UOPFIWCRSOPXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3O/c1-24-10-8-15-25-18-19-28(22-31(24)25)29-20-21-33-32(23-29)35-30(16-9-17-34(35)42-33)38-40-36(26-11-4-2-5-12-26)39-37(41-38)27-13-6-3-7-14-27/h2-8,11-16,18-24H,9-10,17H2,1H3.
What are the key properties of 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 543.67 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(8-methyl-7,8-dihydronaphthalen-2-yl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170229357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).