2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C47H33N3O — CID 167008047

IUPAC2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c3c2oc2ccccc23)cc1C
InChIInChI=1S/C47H33N3O/c1-3-14-31-23-24-34(29-30(31)2)35-25-27-39(43-41-21-12-13-22-42(41)51-44(35)43)38-26-28-40(37-20-11-10-19-36(37)38)47-49-45(32-15-6-4-7-16-32)48-46(50-47)33-17-8-5-9-18-33/h3-29H,1-2H3/b14-3-
InChIKeyHNFYWDLYGZWMMY-BNNQUZSASA-N
MW655.80 g/mol
LogP12.60
Rot. Bonds6

About 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167008047) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167008047
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC Name2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c3c2oc2ccccc23)cc1C
InChIInChI=1S/C47H33N3O/c1-3-14-31-23-24-34(29-30(31)2)35-25-27-39(43-41-21-12-13-22-42(41)51-44(35)43)38-26-28-40(37-20-11-10-19-36(37)38)47-49-45(32-15-6-4-7-16-32)48-46(50-47)33-17-8-5-9-18-33/h3-29H,1-2H3/b14-3-
InChIKeyHNFYWDLYGZWMMY-BNNQUZSASA-N
XLogP12.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[7-[4-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 167008260
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2-naphthalen-1-yl-4-(4-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742716
2-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161320517
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 165090138
2-phenyl-4-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853688
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491033
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-[4-[1-[4-(2,4-diphenylquinazolin-7-yl)naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-4-phenylquinazoline
CID 167022858
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 167008047) is 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is C/C=C\c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)c3c2oc2ccccc23)cc1C.
What is the InChIKey of 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HNFYWDLYGZWMMY-BNNQUZSASA-N. The full InChI is InChI=1S/C47H33N3O/c1-3-14-31-23-24-34(29-30(31)2)35-25-27-39(43-41-21-12-13-22-42(41)51-44(35)43)38-26-28-40(37-20-11-10-19-36(37)38)47-49-45(32-15-6-4-7-16-32)48-46(50-47)33-17-8-5-9-18-33/h3-29H,1-2H3/b14-3-.
What are the key properties of 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 655.80 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167008047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).