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

C53H36N2O — CID 137389231

IUPAC2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)NC(c2ccccc2)=NC1c1ccccc1-c1ccccc1
InChIInChI=1S/C53H36N2O/c1-3-16-35(17-4-1)40-22-7-8-25-43(40)49-34-48(54-52(55-49)36-18-5-2-6-19-36)39-21-15-20-37(32-39)38-30-31-47-51(33-38)56-50-29-14-13-28-46(50)53(47)44-26-11-9-23-41(44)42-24-10-12-27-45(42)53/h1-34,49H,(H,54,55)
InChIKeyLJJYUZYUYKVTGP-UHFFFAOYSA-N
MW716.88 g/mol
LogP12.62
Rot. Bonds5

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

2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine (PubChem CID 137389231) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
PubChem CID137389231
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
SMILESC1=C(c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)NC(c2ccccc2)=NC1c1ccccc1-c1ccccc1
InChIInChI=1S/C53H36N2O/c1-3-16-35(17-4-1)40-22-7-8-25-43(40)49-34-48(54-52(55-49)36-18-5-2-6-19-36)39-21-15-20-37(32-39)38-30-31-47-51(33-38)56-50-29-14-13-28-46(50)53(47)44-26-11-9-23-41(44)42-24-10-12-27-45(42)53/h1-34,49H,(H,54,55)
InChIKeyLJJYUZYUYKVTGP-UHFFFAOYSA-N
XLogP12.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 512.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379549
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine (CID 137389231) is 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine is C1=C(c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)NC(c2ccccc2)=NC1c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine?
The InChIKey is LJJYUZYUYKVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-3-16-35(17-4-1)40-22-7-8-25-43(40)49-34-48(54-52(55-49)36-18-5-2-6-19-36)39-21-15-20-37(32-39)38-30-31-47-51(33-38)56-50-29-14-13-28-46(50)53(47)44-26-11-9-23-41(44)42-24-10-12-27-45(42)53/h1-34,49H,(H,54,55).
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine?
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine has a molecular weight of 716.88 g/mol, XLogP of 12.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 137389231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).