2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene

C56H57N3 — CID 162363064

IUPAC2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene
SMILESCC.CCCc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.Cc1ccc(-c2nc(C3=CCCCC=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C29H25N3.C25H26.C2H6/c1-21-13-15-25(16-14-21)28-30-27(24-11-5-2-3-6-12-24)31-29(32-28)26-19-17-23(18-20-26)22-9-7-4-8-10-22;1-5-10-18-11-6-7-12-19(18)21-16-22-20-13-8-9-14-23(20)25(3,4)24(22)15-17(21)2;1-2/h4-5,7-20H,2-3,6H2,1H3;6-9,11-16H,5,10H2,1-4H3;1-2H3
InChIKeyKRRWYFITMSMZDS-UHFFFAOYSA-N
MW772.09 g/mol
LogP15.25
Rot. Bonds7

About 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene

2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene (PubChem CID 162363064) has the molecular formula C56H57N3 and a molecular weight of 772.09 g/mol. Its IUPAC name is 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene.

Molecular Properties

Compound Name2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene
PubChem CID162363064
Molecular FormulaC56H57N3
Molecular Weight772.09 g/mol
Exact Mass771.46
IUPAC Name2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene
SMILESCC.CCCc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.Cc1ccc(-c2nc(C3=CCCCC=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C29H25N3.C25H26.C2H6/c1-21-13-15-25(16-14-21)28-30-27(24-11-5-2-3-6-12-24)31-29(32-28)26-19-17-23(18-20-26)22-9-7-4-8-10-22;1-5-10-18-11-6-7-12-19(18)21-16-22-20-13-8-9-14-23(20)25(3,4)24(22)15-17(21)2;1-2/h4-5,7-20H,2-3,6H2,1H3;6-9,11-16H,5,10H2,1-4H3;1-2H3
InChIKeyKRRWYFITMSMZDS-UHFFFAOYSA-N
XLogP15.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.09
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene 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-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
CID 145324578
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
3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
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-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-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
CID 138617958

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene?
The IUPAC name of 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene (CID 162363064) is 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene.
What is the SMILES notation for 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene?
The canonical SMILES for 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene is CC.CCCc1ccccc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.Cc1ccc(-c2nc(C3=CCCCC=C3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene?
The InChIKey is KRRWYFITMSMZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3.C25H26.C2H6/c1-21-13-15-25(16-14-21)28-30-27(24-11-5-2-3-6-12-24)31-29(32-28)26-19-17-23(18-20-26)22-9-7-4-8-10-22;1-5-10-18-11-6-7-12-19(18)21-16-22-20-13-8-9-14-23(20)25(3,4)24(22)15-17(21)2;1-2/h4-5,7-20H,2-3,6H2,1H3;6-9,11-16H,5,10H2,1-4H3;1-2H3.
What are the key properties of 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene?
2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene has a molecular weight of 772.09 g/mol, XLogP of 15.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,6-dien-1-yl-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;ethane;2,9,9-trimethyl-3-(2-propylphenyl)fluorene is sourced from PubChem (CID 162363064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).