4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine

C56H40N2O — CID 130378906

IUPAC4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(C3C=C(c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)NC(c4ccccc4)=N3)cc21
InChIInChI=1S/C56H40N2O/c1-55(2)44-22-9-6-19-40(44)43-29-27-39(33-48(43)55)51-34-50(57-54(58-51)35-15-4-3-5-16-35)38-18-14-17-36(31-38)37-28-30-53-49(32-37)56(47-25-12-13-26-52(47)59-53)45-23-10-7-20-41(45)42-21-8-11-24-46(42)56/h3-34,51H,1-2H3,(H,57,58)
InChIKeyZSVYDIWTJGNLDP-UHFFFAOYSA-N
MW756.95 g/mol
LogP13.26
Rot. Bonds4

About 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine

4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 130378906) has the molecular formula C56H40N2O and a molecular weight of 756.95 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
PubChem CID130378906
Molecular FormulaC56H40N2O
Molecular Weight756.95 g/mol
Exact Mass756.31
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(C3C=C(c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)NC(c4ccccc4)=N3)cc21
InChIInChI=1S/C56H40N2O/c1-55(2)44-22-9-6-19-40(44)43-29-27-39(33-48(43)55)51-34-50(57-54(58-51)35-15-4-3-5-16-35)38-18-14-17-36(31-38)37-28-30-53-49(32-37)56(47-25-12-13-26-52(47)59-53)45-23-10-7-20-41(45)42-21-8-11-24-46(42)56/h3-34,51H,1-2H3,(H,57,58)
InChIKeyZSVYDIWTJGNLDP-UHFFFAOYSA-N
XLogP13.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 513.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
4-(9,9-dimethylfluoren-2-yl)-2-[3-[7'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 146342988
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379549
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263795
5-(10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-2-phenylpyrimidine
CID 134571433
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine (CID 130378906) is 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine is CC1(C)c2ccccc2-c2ccc(C3C=C(c4cccc(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c4)NC(c4ccccc4)=N3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is ZSVYDIWTJGNLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2O/c1-55(2)44-22-9-6-19-40(44)43-29-27-39(33-48(43)55)51-34-50(57-54(58-51)35-15-4-3-5-16-35)38-18-14-17-36(31-38)37-28-30-53-49(32-37)56(47-25-12-13-26-52(47)59-53)45-23-10-7-20-41(45)42-21-8-11-24-46(42)56/h3-34,51H,1-2H3,(H,57,58).
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine?
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine has a molecular weight of 756.95 g/mol, XLogP of 13.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 130378906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).