2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

C49H43N3 — CID 146384834

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(C4(c5ccc(C6=CCCc7ccccc76)cc5)CCCCC4)cc3)n2)=CCC1
InChIInChI=1S/C49H43N3/c1-4-13-35(14-5-1)36-21-23-40(24-22-36)47-50-46(39-16-6-2-7-17-39)51-48(52-47)41-27-31-43(32-28-41)49(33-10-3-11-34-49)42-29-25-38(26-30-42)45-20-12-18-37-15-8-9-19-44(37)45/h1,4-6,8-9,13-17,19-32H,2-3,7,10-12,18,33-34H2
InChIKeyGAYGYWMSGPCMEY-UHFFFAOYSA-N
MW673.90 g/mol
LogP12.23
Rot. Bonds7

About 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146384834) has the molecular formula C49H43N3 and a molecular weight of 673.90 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID146384834
Molecular FormulaC49H43N3
Molecular Weight673.90 g/mol
Exact Mass673.35
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(C4(c5ccc(C6=CCCc7ccccc76)cc5)CCCCC4)cc3)n2)=CCC1
InChIInChI=1S/C49H43N3/c1-4-13-35(14-5-1)36-21-23-40(24-22-36)47-50-46(39-16-6-2-7-17-39)51-48(52-47)41-27-31-43(32-28-41)49(33-10-3-11-34-49)42-29-25-38(26-30-42)45-20-12-18-37-15-8-9-19-44(37)45/h1,4-6,8-9,13-17,19-32H,2-3,7,10-12,18,33-34H2
InChIKeyGAYGYWMSGPCMEY-UHFFFAOYSA-N
XLogP12.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.90
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-2-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrimidine
CID 146384735
2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 146384820
2-cyclohexa-1,5-dien-1-yl-4-[3-(2-methyl-3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 174327539
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
8-[4-[3-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pentan-3-yl]phenyl]-5,6-dihydroquinoline
CID 146384742
2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
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
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
CID 10857019
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-phenyl-N-[1-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]ethylidene]benzenecarboximidamide
CID 146384886
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-[3-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166902740

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 146384834) is 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(C4(c5ccc(C6=CCCc7ccccc76)cc5)CCCCC4)cc3)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GAYGYWMSGPCMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N3/c1-4-13-35(14-5-1)36-21-23-40(24-22-36)47-50-46(39-16-6-2-7-17-39)51-48(52-47)41-27-31-43(32-28-41)49(33-10-3-11-34-49)42-29-25-38(26-30-42)45-20-12-18-37-15-8-9-19-44(37)45/h1,4-6,8-9,13-17,19-32H,2-3,7,10-12,18,33-34H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 673.90 g/mol, XLogP of 12.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146384834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).