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

C47H33N3 — CID 129171468

IUPAC2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)n2)=C1
InChIInChI=1S/C47H33N3/c1-3-11-32(12-4-1)35-19-23-37(24-20-35)46-48-45(36-15-5-2-6-16-36)49-47(50-46)44-30-42(40-25-21-33-13-7-9-17-38(33)27-40)29-43(31-44)41-26-22-34-14-8-10-18-39(34)28-41/h1-5,7-15,17-31H,6,16H2
InChIKeyMCJFNFXSQILBGK-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.25
Rot. Bonds6

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

2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 129171468) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID129171468
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)n2)=C1
InChIInChI=1S/C47H33N3/c1-3-11-32(12-4-1)35-19-23-37(24-20-35)46-48-45(36-15-5-2-6-16-36)49-47(50-46)44-30-42(40-25-21-33-13-7-9-17-38(33)27-40)29-43(31-44)41-26-22-34-14-8-10-18-39(34)28-41/h1-5,7-15,17-31H,6,16H2
InChIKeyMCJFNFXSQILBGK-UHFFFAOYSA-N
XLogP12.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-[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-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-cyclohexa-1,3-dien-1-yl-4-[4-[7-[4-(1,2-diphenyl-2H-1,3-diazet-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 174312386
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 129171468) is 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is C1=CCCC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is MCJFNFXSQILBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-3-11-32(12-4-1)35-19-23-37(24-20-35)46-48-45(36-15-5-2-6-16-36)49-47(50-46)44-30-42(40-25-21-33-13-7-9-17-38(33)27-40)29-43(31-44)41-26-22-34-14-8-10-18-39(34)28-41/h1-5,7-15,17-31H,6,16H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 639.80 g/mol, XLogP of 12.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 129171468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).