2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C34H25N3O — CID 134198548

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1ccc2oc3cccc(-c4nc(C5=CCCC=C5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c2c1
InChIInChI=1S/C34H25N3O/c1-22-15-20-29-28(21-22)31-27(13-8-14-30(31)38-29)34-36-32(25-11-6-3-7-12-25)35-33(37-34)26-18-16-24(17-19-26)23-9-4-2-5-10-23/h2,4-6,8-21H,3,7H2,1H3
InChIKeyNFWAFFGGVFXXRT-UHFFFAOYSA-N
MW491.59 g/mol
LogP8.81
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 134198548) has the molecular formula C34H25N3O and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID134198548
Molecular FormulaC34H25N3O
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1ccc2oc3cccc(-c4nc(C5=CCCC=C5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c2c1
InChIInChI=1S/C34H25N3O/c1-22-15-20-29-28(21-22)31-27(13-8-14-30(31)38-29)34-36-32(25-11-6-3-7-12-25)35-33(37-34)26-18-16-24(17-19-26)23-9-4-2-5-10-23/h2,4-6,8-21H,3,7H2,1H3
InChIKeyNFWAFFGGVFXXRT-UHFFFAOYSA-N
XLogP8.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 138618029
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966
2-cyclohexa-1,5-dien-1-yl-4-[4-(7-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167184344
7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095099

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 134198548) is 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is Cc1ccc2oc3cccc(-c4nc(C5=CCCC=C5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c2c1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is NFWAFFGGVFXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O/c1-22-15-20-29-28(21-22)31-27(13-8-14-30(31)38-29)34-36-32(25-11-6-3-7-12-25)35-33(37-34)26-18-16-24(17-19-26)23-9-4-2-5-10-23/h2,4-6,8-21H,3,7H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 491.59 g/mol, XLogP of 8.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134198548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).