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

C48H47N3 — CID 166902275

IUPAC6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1cccc(-c2ccc(C4NC(C5=CC=CCC5)=NC(c5ccccc5)N4)cc2)c1C31CCCCC1
InChIInChI=1S/C48H47N3/c1-47(2)40-22-11-10-19-36(40)38-30-42-39(29-41(38)47)37-21-14-20-35(43(37)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/h3-4,6-8,10-11,14-17,19-26,29-30,38,41,44,46,50H,5,9,12-13,18,27-28H2,1-2H3,(H,49,51)
InChIKeyQNMJEAURAHZKMB-UHFFFAOYSA-N
MW665.93 g/mol
LogP11.15
Rot. Bonds4

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

6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 166902275) has the molecular formula C48H47N3 and a molecular weight of 665.93 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID166902275
Molecular FormulaC48H47N3
Molecular Weight665.93 g/mol
Exact Mass665.38
IUPAC Name6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1cccc(-c2ccc(C4NC(C5=CC=CCC5)=NC(c5ccccc5)N4)cc2)c1C31CCCCC1
InChIInChI=1S/C48H47N3/c1-47(2)40-22-11-10-19-36(40)38-30-42-39(29-41(38)47)37-21-14-20-35(43(37)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/h3-4,6-8,10-11,14-17,19-26,29-30,38,41,44,46,50H,5,9,12-13,18,27-28H2,1-2H3,(H,49,51)
InChIKeyQNMJEAURAHZKMB-UHFFFAOYSA-N
XLogP11.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.93
LogP ≤ 511.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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-[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-[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-(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-(6,6-dimethylspiro[5a,10b-dihydroindeno[1,2-b]fluorene-12,1'-cyclohexane]-3-yl)-3,5,6-triphenylpyrazine
CID 166901765
4-(5,6-dihydronaphthalen-2-yl)-2-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134603840
CID 166902631
CID 166902631
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
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
4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163481541
2-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-9-dibenzothiophen-4-yl-4a,9a-dihydrocarbazole
CID 139555157
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504521

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 166902275) is 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)c2ccccc2C2C=C3C(=CC21)c1cccc(-c2ccc(C4NC(C5=CC=CCC5)=NC(c5ccccc5)N4)cc2)c1C31CCCCC1.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is QNMJEAURAHZKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47N3/c1-47(2)40-22-11-10-19-36(40)38-30-42-39(29-41(38)47)37-21-14-20-35(43(37)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/h3-4,6-8,10-11,14-17,19-26,29-30,38,41,44,46,50H,5,9,12-13,18,27-28H2,1-2H3,(H,49,51).
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 665.93 g/mol, XLogP of 11.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,3-dien-1-yl-2-[4-(6,6-dimethylspiro[5a,10b-dihydroindeno[2,1-h]fluorene-12,1'-cyclohexane]-1-yl)phenyl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 166902275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).