4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine

C51H34N2O — CID 134303848

IUPAC4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5ccccc5cc3-4)cc2)=NC1c1ccccc1
InChIInChI=1S/C51H34N2O/c1-3-13-34(14-4-1)46-32-47(35-15-5-2-6-16-35)53-50(52-46)36-25-23-33(24-26-36)39-27-28-40-41-29-37-17-7-8-18-38(37)30-45(41)51(44(40)31-39)42-19-9-11-21-48(42)54-49-22-12-10-20-43(49)51/h1-32,46H,(H,52,53)
InChIKeyNLCGFTGNWHFZLI-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.11
Rot. Bonds4

About 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine

4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 134303848) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
PubChem CID134303848
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5ccccc5cc3-4)cc2)=NC1c1ccccc1
InChIInChI=1S/C51H34N2O/c1-3-13-34(14-4-1)46-32-47(35-15-5-2-6-16-35)53-50(52-46)36-25-23-33(24-26-36)39-27-28-40-41-29-37-17-7-8-18-38(37)30-45(41)51(44(40)31-39)42-19-9-11-21-48(42)54-49-22-12-10-20-43(49)51/h1-32,46H,(H,52,53)
InChIKeyNLCGFTGNWHFZLI-UHFFFAOYSA-N
XLogP12.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
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-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263552
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247245
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-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 129263235

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine (CID 134303848) is 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine is C1=C(c2ccccc2)NC(c2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc5ccccc5cc3-4)cc2)=NC1c1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is NLCGFTGNWHFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-3-13-34(14-4-1)46-32-47(35-15-5-2-6-16-35)53-50(52-46)36-25-23-33(24-26-36)39-27-28-40-41-29-37-17-7-8-18-38(37)30-45(41)51(44(40)31-39)42-19-9-11-21-48(42)54-49-22-12-10-20-43(49)51/h1-32,46H,(H,52,53).
What are the key properties of 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine?
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine has a molecular weight of 690.85 g/mol, XLogP of 12.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 134303848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).