2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C38H29N3O — CID 154955419

IUPAC2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1c2ccccc2C=C2Oc3cc(-c4nc(C5=CC=CCC5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3C21
InChIInChI=1S/C38H29N3O/c1-24-31-15-9-8-14-29(31)22-34-35(24)32-21-20-30(23-33(32)42-34)38-40-36(27-12-6-3-7-13-27)39-37(41-38)28-18-16-26(17-19-28)25-10-4-2-5-11-25/h2-6,8-12,14-24,35H,7,13H2,1H3
InChIKeyVGWRHNAPPDATGH-UHFFFAOYSA-N
MW543.67 g/mol
LogP9.24
Rot. Bonds4

About 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 154955419) has the molecular formula C38H29N3O and a molecular weight of 543.67 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID154955419
Molecular FormulaC38H29N3O
Molecular Weight543.67 g/mol
Exact Mass543.23
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1c2ccccc2C=C2Oc3cc(-c4nc(C5=CC=CCC5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3C21
InChIInChI=1S/C38H29N3O/c1-24-31-15-9-8-14-29(31)22-34-35(24)32-21-20-30(23-33(32)42-34)38-40-36(27-12-6-3-7-13-27)39-37(41-38)28-18-16-26(17-19-28)25-10-4-2-5-11-25/h2-6,8-12,14-24,35H,7,13H2,1H3
InChIKeyVGWRHNAPPDATGH-UHFFFAOYSA-N
XLogP9.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353221
2-cyclohexa-1,3-dien-1-yl-4-[3-[8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130439927
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171430910
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198719
2-cyclohexa-1,3-dien-1-yl-4-[5-methyl-4-(7-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,3-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 167007661
4-[3-[4-cyclohexa-1,3-dien-1-yl-6-(9,9-diphenylxanthen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163804992
3-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-bis(4-phenylphenyl)aniline
CID 170297555
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
CID 155201224
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 130379921
N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170094690
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 154955419) is 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine is CC1c2ccccc2C=C2Oc3cc(-c4nc(C5=CC=CCC5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3C21.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is VGWRHNAPPDATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3O/c1-24-31-15-9-8-14-29(31)22-34-35(24)32-21-20-30(23-33(32)42-34)38-40-36(27-12-6-3-7-13-27)39-37(41-38)28-18-16-26(17-19-28)25-10-4-2-5-11-25/h2-6,8-12,14-24,35H,7,13H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 543.67 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 154955419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).