2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine

C52H37N3O — CID 170289109

IUPAC2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CCCC=C6)c5)n4)cc4c3oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C52H37N3O/c1-52(2)45-23-12-11-22-40(45)41-26-25-36(31-46(41)52)43-29-38(30-44-42-27-24-33-16-9-10-21-39(33)47(42)56-48(43)44)51-54-49(34-17-7-4-8-18-34)53-50(55-51)37-20-13-19-35(28-37)32-14-5-3-6-15-32/h4-5,7-31H,3,6H2,1-2H3
InChIKeyGKNLLHQMZUUNNQ-UHFFFAOYSA-N
MW719.89 g/mol
LogP13.63
Rot. Bonds5

About 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine

2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170289109) has the molecular formula C52H37N3O and a molecular weight of 719.89 g/mol. Its IUPAC name is 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine
PubChem CID170289109
Molecular FormulaC52H37N3O
Molecular Weight719.89 g/mol
Exact Mass719.29
IUPAC Name2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CCCC=C6)c5)n4)cc4c3oc3c5ccccc5ccc43)cc21
InChIInChI=1S/C52H37N3O/c1-52(2)45-23-12-11-22-40(45)41-26-25-36(31-46(41)52)43-29-38(30-44-42-27-24-33-16-9-10-21-39(33)47(42)56-48(43)44)51-54-49(34-17-7-4-8-18-34)53-50(55-51)37-20-13-19-35(28-37)32-14-5-3-6-15-32/h4-5,7-31H,3,6H2,1-2H3
InChIKeyGKNLLHQMZUUNNQ-UHFFFAOYSA-N
XLogP13.63
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 ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167424106
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
2-[3-[6-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244824
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
CID 145390974
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
4-cyclohexa-1,5-dien-1-yl-2-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine
CID 137381315
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
2-(9,9-dimethylfluoren-2-yl)-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393298
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine (CID 170289109) is 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(C6=CCCC=C6)c5)n4)cc4c3oc3c5ccccc5ccc43)cc21.
What is the InChIKey of 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is GKNLLHQMZUUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O/c1-52(2)45-23-12-11-22-40(45)41-26-25-36(31-46(41)52)43-29-38(30-44-42-27-24-33-16-9-10-21-39(33)47(42)56-48(43)44)51-54-49(34-17-7-4-8-18-34)53-50(55-51)37-20-13-19-35(28-37)32-14-5-3-6-15-32/h4-5,7-31H,3,6H2,1-2H3.
What are the key properties of 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine?
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 719.89 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170289109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).