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

C42H37N3 — CID 166902608

IUPAC2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1C31CCCCC1
InChIInChI=1S/C42H37N3/c1-41(2)34-19-11-10-18-30(34)32-26-37-33(25-36(32)41)31-24-29(20-21-35(31)42(37)22-12-5-13-23-42)40-44-38(27-14-6-3-7-15-27)43-39(45-40)28-16-8-4-9-17-28/h3-4,6-11,14-21,24-26,32,36H,5,12-13,22-23H2,1-2H3
InChIKeyMQPUQDIKKWVIMG-UHFFFAOYSA-N
MW583.78 g/mol
LogP10.10
Rot. Bonds3

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

2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166902608) has the molecular formula C42H37N3 and a molecular weight of 583.78 g/mol. Its IUPAC name is 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166902608
Molecular FormulaC42H37N3
Molecular Weight583.78 g/mol
Exact Mass583.30
IUPAC Name2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1C31CCCCC1
InChIInChI=1S/C42H37N3/c1-41(2)34-19-11-10-18-30(34)32-26-37-33(25-36(32)41)31-24-29(20-21-35(31)42(37)22-12-5-13-23-42)40-44-38(27-14-6-3-7-15-27)43-39(45-40)28-16-8-4-9-17-28/h3-4,6-11,14-21,24-26,32,36H,5,12-13,22-23H2,1-2H3
InChIKeyMQPUQDIKKWVIMG-UHFFFAOYSA-N
XLogP10.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-3,5,6-triphenylpyrazine
CID 166901765
CID 166902331
CID 166902331
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
CID 166902631
CID 166902631
4-[3-[3-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-4-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166902701
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
4-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-2-phenyl-6-(4-phenylcyclohexen-1-yl)-1,2-dihydropyrimidine
CID 166901855
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
2,4-diphenyl-6-[3-(2-phenyl-4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 174327344

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2C2C=C3C(=CC21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1C31CCCCC1.
What is the InChIKey of 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MQPUQDIKKWVIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N3/c1-41(2)34-19-11-10-18-30(34)32-26-37-33(25-36(32)41)31-24-29(20-21-35(31)42(37)22-12-5-13-23-42)40-44-38(27-14-6-3-7-15-27)43-39(45-40)28-16-8-4-9-17-28/h3-4,6-11,14-21,24-26,32,36H,5,12-13,22-23H2,1-2H3.
What are the key properties of 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 583.78 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166902608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).