4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine

C51H34N2O — CID 134304744

IUPAC4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c2)=NC1c1ccccc1
InChIInChI=1S/C51H34N2O/c1-3-15-34(16-4-1)45-32-46(35-17-5-2-6-18-35)53-50(52-45)38-20-13-19-36(30-38)37-26-28-40-44(31-37)51(43-29-27-33-14-7-8-21-39(33)49(40)43)41-22-9-11-24-47(41)54-48-25-12-10-23-42(48)51/h1-32,45H,(H,52,53)
InChIKeyZZKUXVNNKNQCSC-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.11
Rot. Bonds4

About 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine

4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 134304744) has the molecular formula C51H34N2O and a molecular weight of 690.85 g/mol. Its IUPAC name is 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
PubChem CID134304744
Molecular FormulaC51H34N2O
Molecular Weight690.85 g/mol
Exact Mass690.27
IUPAC Name4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c2)=NC1c1ccccc1
InChIInChI=1S/C51H34N2O/c1-3-15-34(16-4-1)45-32-46(35-17-5-2-6-18-35)53-50(52-45)38-20-13-19-36(30-38)37-26-28-40-44(31-37)51(43-29-27-33-14-7-8-21-39(33)49(40)43)41-22-9-11-24-47(41)54-48-25-12-10-23-42(48)51/h1-32,45H,(H,52,53)
InChIKeyZZKUXVNNKNQCSC-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-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
CID 146184516
CID 146184516
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
2-[2-[4-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 135247214
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
triphenyl(spiro[benzo[g]fluorene-7,9'-xanthene]-9-yl)silane
CID 171742854

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine (CID 134304744) is 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine is C1=C(c2ccccc2)NC(c2cccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c2)=NC1c1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is ZZKUXVNNKNQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O/c1-3-15-34(16-4-1)45-32-46(35-17-5-2-6-18-35)53-50(52-45)38-20-13-19-36(30-38)37-26-28-40-44(31-37)51(43-29-27-33-14-7-8-21-39(33)49(40)43)41-22-9-11-24-47(41)54-48-25-12-10-23-42(48)51/h1-32,45H,(H,52,53).
What are the key properties of 4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine?
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-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-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 134304744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).