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

C55H50N2 — CID 166902373

IUPAC6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine
SMILESCC1(C)c2cc3c(cc2C2C=C(C4=CCC(c5ccc(C6=CC(c7ccccc7)=NC(c7ccccc7)N6)cc5)C=C4)C=CC21)C1(CCCCC1)c1ccccc1-3
InChIInChI=1S/C55H50N2/c1-54(2)47-29-28-42(32-44(47)46-34-50-45(33-49(46)54)43-18-10-11-19-48(43)55(50)30-12-5-13-31-55)38-22-20-36(21-23-38)37-24-26-40(27-25-37)52-35-51(39-14-6-3-7-15-39)56-53(57-52)41-16-8-4-9-17-41/h3-4,6-11,14-20,22-29,32-36,44,47,53,57H,5,12-13,21,30-31H2,1-2H3
InChIKeyHNQFMEKKZMUCOB-UHFFFAOYSA-N
MW739.02 g/mol
LogP13.21
Rot. Bonds5

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

6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine (PubChem CID 166902373) has the molecular formula C55H50N2 and a molecular weight of 739.02 g/mol. Its IUPAC name is 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine
PubChem CID166902373
Molecular FormulaC55H50N2
Molecular Weight739.02 g/mol
Exact Mass738.40
IUPAC Name6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine
SMILESCC1(C)c2cc3c(cc2C2C=C(C4=CCC(c5ccc(C6=CC(c7ccccc7)=NC(c7ccccc7)N6)cc5)C=C4)C=CC21)C1(CCCCC1)c1ccccc1-3
InChIInChI=1S/C55H50N2/c1-54(2)47-29-28-42(32-44(47)46-34-50-45(33-49(46)54)43-18-10-11-19-48(43)55(50)30-12-5-13-31-55)38-22-20-36(21-23-38)37-24-26-40(27-25-37)52-35-51(39-14-6-3-7-15-39)56-53(57-52)41-16-8-4-9-17-41/h3-4,6-11,14-20,22-29,32-36,44,47,53,57H,5,12-13,21,30-31H2,1-2H3
InChIKeyHNQFMEKKZMUCOB-UHFFFAOYSA-N
XLogP13.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.02
LogP ≤ 513.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine with MolForge

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Related Compounds

CID 166902294
CID 166902294
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-phenyl-4-(4-phenylphenyl)-6-(4-spiro[cyclohexane-1,11'-fluoreno[3,2-b][1]benzofuran]-8'-ylphenyl)-1,2-dihydropyrimidine
CID 154947456
CID 166901815
CID 166901815
2-[4-[11,11-dimethyl-5-(4-phenylcyclohexa-1,3-dien-1-yl)benzo[b]fluoren-2-yl]phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 170411146
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-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine
CID 130439965
2-[4-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)cyclohexa-2,4-dien-1-yl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 166902381
2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166902522
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
CID 130392498
4-[8-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-1,2-dihydrodibenzothiophen-4-yl]-2,6-diphenyl-1,2,3,4-tetrahydropyrimidine
CID 166901575
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 138484756

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine?
The IUPAC name of 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine (CID 166902373) is 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine?
The canonical SMILES for 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine is CC1(C)c2cc3c(cc2C2C=C(C4=CCC(c5ccc(C6=CC(c7ccccc7)=NC(c7ccccc7)N6)cc5)C=C4)C=CC21)C1(CCCCC1)c1ccccc1-3.
What is the InChIKey of 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine?
The InChIKey is HNQFMEKKZMUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50N2/c1-54(2)47-29-28-42(32-44(47)46-34-50-45(33-49(46)54)43-18-10-11-19-48(43)55(50)30-12-5-13-31-55)38-22-20-36(21-23-38)37-24-26-40(27-25-37)52-35-51(39-14-6-3-7-15-39)56-53(57-52)41-16-8-4-9-17-41/h3-4,6-11,14-20,22-29,32-36,44,47,53,57H,5,12-13,21,30-31H2,1-2H3.
What are the key properties of 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine?
6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine has a molecular weight of 739.02 g/mol, XLogP of 13.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 166902373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).