2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine

C52H37N3O — CID 164707909

IUPAC2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc(C8C=CC=CC8)cc7)n6)c6ccccc6c5c4c3)ccc21
InChIInChI=1S/C52H37N3O/c1-52(2)44-20-12-11-18-39(44)41-29-36(25-27-45(41)52)37-26-28-46-43(30-37)48-40-19-10-9-17-38(40)42(31-47(48)56-46)51-54-49(34-15-7-4-8-16-34)53-50(55-51)35-23-21-33(22-24-35)32-13-5-3-6-14-32/h3-13,15-32H,14H2,1-2H3
InChIKeyKLBJUAWSIYMWLA-UHFFFAOYSA-N
MW719.89 g/mol
LogP13.50
Rot. Bonds5

About 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine

2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine (PubChem CID 164707909) has the molecular formula C52H37N3O and a molecular weight of 719.89 g/mol. Its IUPAC name is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine
PubChem CID164707909
Molecular FormulaC52H37N3O
Molecular Weight719.89 g/mol
Exact Mass719.29
IUPAC Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc(C8C=CC=CC8)cc7)n6)c6ccccc6c5c4c3)ccc21
InChIInChI=1S/C52H37N3O/c1-52(2)44-20-12-11-18-39(44)41-29-36(25-27-45(41)52)37-26-28-46-43(30-37)48-40-19-10-9-17-38(40)42(31-47(48)56-46)51-54-49(34-15-7-4-8-16-34)53-50(55-51)35-23-21-33(22-24-35)32-13-5-3-6-14-32/h3-13,15-32H,14H2,1-2H3
InChIKeyKLBJUAWSIYMWLA-UHFFFAOYSA-N
XLogP13.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
2-(3-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174316379
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009511
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002484
2-(9,9-dimethylfluoren-3-yl)-4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198469
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199149

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine (CID 164707909) is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3ccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc(C8C=CC=CC8)cc7)n6)c6ccccc6c5c4c3)ccc21.
What is the InChIKey of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is KLBJUAWSIYMWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O/c1-52(2)44-20-12-11-18-39(44)41-29-36(25-27-45(41)52)37-26-28-46-43(30-37)48-40-19-10-9-17-38(40)42(31-47(48)56-46)51-54-49(34-15-7-4-8-16-34)53-50(55-51)35-23-21-33(22-24-35)32-13-5-3-6-14-32/h3-13,15-32H,14H2,1-2H3.
What are the key properties of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine?
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 719.89 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164707909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).