6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine

C61H50N2O — CID 166901967

IUPAC6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2cccc(-c4cccc(C5C=C(c6ccc7c(c6)OC6C=CC=CC76)NC(c6ccccc6)=N5)c4)c2)cccc1C31CCCCC1
InChIInChI=1S/C61H50N2O/c1-60(2)50-25-9-7-22-45(50)48-35-53-49(36-52(48)60)58-44(24-15-26-51(58)61(53)30-11-4-12-31-61)41-20-13-18-39(32-41)40-19-14-21-42(33-40)54-37-55(63-59(62-54)38-16-5-3-6-17-38)43-28-29-47-46-23-8-10-27-56(46)64-57(47)34-43/h3,5-10,13-29,32-37,46,54,56H,4,11-12,30-31H2,1-2H3,(H,62,63)
InChIKeySNGXXYBNLAOTOW-UHFFFAOYSA-N
MW827.08 g/mol
LogP14.66
Rot. Bonds5

About 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine

6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine (PubChem CID 166901967) has the molecular formula C61H50N2O and a molecular weight of 827.08 g/mol. Its IUPAC name is 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine
PubChem CID166901967
Molecular FormulaC61H50N2O
Molecular Weight827.08 g/mol
Exact Mass826.39
IUPAC Name6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2cccc(-c4cccc(C5C=C(c6ccc7c(c6)OC6C=CC=CC76)NC(c6ccccc6)=N5)c4)c2)cccc1C31CCCCC1
InChIInChI=1S/C61H50N2O/c1-60(2)50-25-9-7-22-45(50)48-35-53-49(36-52(48)60)58-44(24-15-26-51(58)61(53)30-11-4-12-31-61)41-20-13-18-39(32-41)40-19-14-21-42(33-40)54-37-55(63-59(62-54)38-16-5-3-6-17-38)43-28-29-47-46-23-8-10-27-56(46)64-57(47)34-43/h3,5-10,13-29,32-37,46,54,56H,4,11-12,30-31H2,1-2H3,(H,62,63)
InChIKeySNGXXYBNLAOTOW-UHFFFAOYSA-N
XLogP14.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.08
LogP ≤ 514.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine with MolForge

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Related Compounds

2-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-4'-yl)phenyl]-3,5,6-triphenylpyrazine
CID 166902209
2-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-4-phenyl-1,2-dihydro-[1]benzothiolo[2,3-d]pyrimidine
CID 166901962
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120
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-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166902522
CID 166901869
CID 166901869
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
6-[4-(9,9-dimethylfluoren-2-yl)-1,8a-dihydronaphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 170092580
6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine
CID 166902541
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
N-[4-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 145271614

Frequently Asked Questions

What is the IUPAC name of 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine (CID 166901967) is 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2cccc(-c4cccc(C5C=C(c6ccc7c(c6)OC6C=CC=CC76)NC(c6ccccc6)=N5)c4)c2)cccc1C31CCCCC1.
What is the InChIKey of 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine?
The InChIKey is SNGXXYBNLAOTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2O/c1-60(2)50-25-9-7-22-45(50)48-35-53-49(36-52(48)60)58-44(24-15-26-51(58)61(53)30-11-4-12-31-61)41-20-13-18-39(32-41)40-19-14-21-42(33-40)54-37-55(63-59(62-54)38-16-5-3-6-17-38)43-28-29-47-46-23-8-10-27-56(46)64-57(47)34-43/h3,5-10,13-29,32-37,46,54,56H,4,11-12,30-31H2,1-2H3,(H,62,63).
What are the key properties of 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine?
6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine has a molecular weight of 827.08 g/mol, XLogP of 14.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5a,9a-dihydrodibenzofuran-3-yl)-4-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-2-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 166901967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).