2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine

C44H30N4O — CID 155203983

IUPAC2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
SMILESC1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccn4)n3)c2)=C1
InChIInChI=1S/C44H30N4O/c1-3-11-29(12-4-1)34-25-35(30-13-5-2-6-14-30)27-36(26-34)43-46-42(47-44(48-43)39-16-9-10-24-45-39)32-20-18-31(19-21-32)33-22-23-41-38(28-33)37-15-7-8-17-40(37)49-41/h1-5,7-13,15-28H,6,14H2
InChIKeySPKVFSGCNQPYGU-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.23
Rot. Bonds6

About 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine

2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 155203983) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
PubChem CID155203983
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
SMILESC1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccn4)n3)c2)=C1
InChIInChI=1S/C44H30N4O/c1-3-11-29(12-4-1)34-25-35(30-13-5-2-6-14-30)27-36(26-34)43-46-42(47-44(48-43)39-16-9-10-24-45-39)32-20-18-31(19-21-32)33-22-23-41-38(28-33)37-15-7-8-17-40(37)49-41/h1-5,7-13,15-28H,6,14H2
InChIKeySPKVFSGCNQPYGU-UHFFFAOYSA-N
XLogP11.23
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353221
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170301983
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 130262131
2-(3-cyclohexa-1,3-dien-1-yl-5-dibenzothiophen-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 145430347
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
CID 155201224
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 158843888

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine (CID 155203983) is 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine is C1=CCCC(c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccn4)n3)c2)=C1.
What is the InChIKey of 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is SPKVFSGCNQPYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-3-11-29(12-4-1)34-25-35(30-13-5-2-6-14-30)27-36(26-34)43-46-42(47-44(48-43)39-16-9-10-24-45-39)32-20-18-31(19-21-32)33-22-23-41-38(28-33)37-15-7-8-17-40(37)49-41/h1-5,7-13,15-28H,6,14H2.
What are the key properties of 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine?
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 630.75 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 155203983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).