2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine

C48H43N3 — CID 166902952

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)C2=CC3c4ccccc4C4(CCCCC4)C3C=C2c2c(-c3ccc(-c4nc(C5=CCCC=C5)nc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C48H43N3/c1-47(2)40-22-14-20-35(43(40)38-30-42-37(29-41(38)47)36-19-10-11-21-39(36)48(42)27-12-5-13-28-48)31-23-25-34(26-24-31)46-50-44(32-15-6-3-7-16-32)49-45(51-46)33-17-8-4-9-18-33/h3,6-8,10-11,14-26,29-30,37,42H,4-5,9,12-13,27-28H2,1-2H3
InChIKeyRRCHWWBYBVGDEI-UHFFFAOYSA-N
MW661.89 g/mol
LogP11.84
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 166902952) has the molecular formula C48H43N3 and a molecular weight of 661.89 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID166902952
Molecular FormulaC48H43N3
Molecular Weight661.89 g/mol
Exact Mass661.35
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)C2=CC3c4ccccc4C4(CCCCC4)C3C=C2c2c(-c3ccc(-c4nc(C5=CCCC=C5)nc(-c5ccccc5)n4)cc3)cccc21
InChIInChI=1S/C48H43N3/c1-47(2)40-22-14-20-35(43(40)38-30-42-37(29-41(38)47)36-19-10-11-21-39(36)48(42)27-12-5-13-28-48)31-23-25-34(26-24-31)46-50-44(32-15-6-3-7-16-32)49-45(51-46)33-17-8-4-9-18-33/h3,6-8,10-11,14-26,29-30,37,42H,4-5,9,12-13,27-28H2,1-2H3
InChIKeyRRCHWWBYBVGDEI-UHFFFAOYSA-N
XLogP11.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.89
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-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

6-[4-[3-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]phenyl]-2,3,5-triphenyl-1,2-dihydropyrazine
CID 166902849
4-(8,9-dihydrodibenzofuran-3-yl)-6-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-2-phenyl-1,2-dihydropyrimidine
CID 166902677
CID 166902331
CID 166902331
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-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-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 166902608
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-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-[5-(2,3-dihydrofluoranthen-3-yl)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 129171479
2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)cyclohexa-1,3-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166902480
4-[8-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
CID 166902119
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
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 154618868

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 166902952) is 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)C2=CC3c4ccccc4C4(CCCCC4)C3C=C2c2c(-c3ccc(-c4nc(C5=CCCC=C5)nc(-c5ccccc5)n4)cc3)cccc21.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is RRCHWWBYBVGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N3/c1-47(2)40-22-14-20-35(43(40)38-30-42-37(29-41(38)47)36-19-10-11-21-39(36)48(42)27-12-5-13-28-48)31-23-25-34(26-24-31)46-50-44(32-15-6-3-7-16-32)49-45(51-46)33-17-8-4-9-18-33/h3,6-8,10-11,14-26,29-30,37,42H,4-5,9,12-13,27-28H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-[4-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 661.89 g/mol, XLogP of 11.84, 4 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-(12,12-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-4-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166902952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).