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

C55H52N2 — CID 166901855

IUPAC4-[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
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1cccc(-c2ccc(C4=NC(c5ccccc5)NC(C5=CCC(c6ccccc6)CC5)=C4)cc2)c1C31CCCCC1
InChIInChI=1S/C55H52N2/c1-54(2)47-22-11-10-19-43(47)45-34-49-46(33-48(45)54)44-21-14-20-42(52(44)55(49)31-12-5-13-32-55)38-25-29-40(30-26-38)51-35-50(56-53(57-51)41-17-8-4-9-18-41)39-27-23-37(24-28-39)36-15-6-3-7-16-36/h3-4,6-11,14-22,25-27,29-30,33-35,37,45,48,53,56H,5,12-13,23-24,28,31-32H2,1-2H3
InChIKeyQOBAWMWWCYKHQV-UHFFFAOYSA-N
MW741.03 g/mol
LogP13.45
Rot. Bonds5

About 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

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 (PubChem CID 166901855) has the molecular formula C55H52N2 and a molecular weight of 741.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID166901855
Molecular FormulaC55H52N2
Molecular Weight741.03 g/mol
Exact Mass740.41
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2C2C=C3C(=CC21)c1cccc(-c2ccc(C4=NC(c5ccccc5)NC(C5=CCC(c6ccccc6)CC5)=C4)cc2)c1C31CCCCC1
InChIInChI=1S/C55H52N2/c1-54(2)47-22-11-10-19-43(47)45-34-49-46(33-48(45)54)44-21-14-20-42(52(44)55(49)31-12-5-13-32-55)38-25-29-40(30-26-38)51-35-50(56-53(57-51)41-17-8-4-9-18-41)39-27-23-37(24-28-39)36-15-6-3-7-16-36/h3-4,6-11,14-22,25-27,29-30,33-35,37,45,48,53,56H,5,12-13,23-24,28,31-32H2,1-2H3
InChIKeyQOBAWMWWCYKHQV-UHFFFAOYSA-N
XLogP13.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.03
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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)-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
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
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
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 166902631
CID 166902631
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 166902294
CID 166902294
CID 166902028
CID 166902028
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[cyclohexane-1,11'-fluoreno[3,2-b][1]benzofuran]-8'-ylphenyl)-1,2-dihydropyrimidine
CID 154947456

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2C2C=C3C(=CC21)c1cccc(-c2ccc(C4=NC(c5ccccc5)NC(C5=CCC(c6ccccc6)CC5)=C4)cc2)c1C31CCCCC1.
What is the InChIKey of 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?
The InChIKey is QOBAWMWWCYKHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52N2/c1-54(2)47-22-11-10-19-43(47)45-34-49-46(33-48(45)54)44-21-14-20-42(52(44)55(49)31-12-5-13-32-55)38-25-29-40(30-26-38)51-35-50(56-53(57-51)41-17-8-4-9-18-41)39-27-23-37(24-28-39)36-15-6-3-7-16-36/h3-4,6-11,14-22,25-27,29-30,33-35,37,45,48,53,56H,5,12-13,23-24,28,31-32H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 741.03 g/mol, XLogP of 13.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166901855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).