2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine

C53H37N3O — CID 167113591

IUPAC2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccc(C4=CC(c5cccc6oc7c8ccccc8c(-c8ccc9ccccc9c8)cc7c56)=CCC4)cc3)n2)C=C1
InChIInChI=1S/C53H37N3O/c1-3-14-36(15-4-1)51-54-52(37-16-5-2-6-17-37)56-53(55-51)38-28-25-35(26-29-38)40-19-11-20-41(31-40)43-23-12-24-48-49(43)47-33-46(44-21-9-10-22-45(44)50(47)57-48)42-30-27-34-13-7-8-18-39(34)32-42/h1-10,12-16,18,20-33,37H,11,17,19H2
InChIKeyXECIDSGUZZPNIO-UHFFFAOYSA-N
MW731.90 g/mol
LogP13.94
Rot. Bonds6

About 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine

2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 167113591) has the molecular formula C53H37N3O and a molecular weight of 731.90 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID167113591
Molecular FormulaC53H37N3O
Molecular Weight731.90 g/mol
Exact Mass731.29
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3ccc(C4=CC(c5cccc6oc7c8ccccc8c(-c8ccc9ccccc9c8)cc7c56)=CCC4)cc3)n2)C=C1
InChIInChI=1S/C53H37N3O/c1-3-14-36(15-4-1)51-54-52(37-16-5-2-6-17-37)56-53(55-51)38-28-25-35(26-29-38)40-19-11-20-41(31-40)43-23-12-24-48-49(43)47-33-46(44-21-9-10-22-45(44)50(47)57-48)42-30-27-34-13-7-8-18-39(34)32-42/h1-10,12-16,18,20-33,37H,11,17,19H2
InChIKeyXECIDSGUZZPNIO-UHFFFAOYSA-N
XLogP13.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424184
2-chrysen-2-yl-4-cyclohexa-2,4-dien-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 167143962
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[5-[6-(8-phenyldibenzothiophen-3-yl)dibenzofuran-1-yl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 166744488
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 142515649
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-cyclohexa-2,4-dien-1-yl-4-(6-phenanthren-9-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142343130
2-cyclohexa-2,4-dien-1-yl-4-[4-(4-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166742903
2,4-dinaphthalen-2-yl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176817948

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 167113591) is 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine is C1=CCC(c2nc(-c3ccccc3)nc(-c3ccc(C4=CC(c5cccc6oc7c8ccccc8c(-c8ccc9ccccc9c8)cc7c56)=CCC4)cc3)n2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is XECIDSGUZZPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3O/c1-3-14-36(15-4-1)51-54-52(37-16-5-2-6-17-37)56-53(55-51)38-28-25-35(26-29-38)40-19-11-20-41(31-40)43-23-12-24-48-49(43)47-33-46(44-21-9-10-22-45(44)50(47)57-48)42-30-27-34-13-7-8-18-39(34)32-42/h1-10,12-16,18,20-33,37H,11,17,19H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 731.90 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-1,3-dien-1-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167113591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).