2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine

C58H37N3O — CID 167178462

IUPAC2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7ccccn7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N3O/c1-3-13-40(14-4-1)53-37-54(61-57(60-53)43-15-5-2-6-16-43)42-28-24-39(25-29-42)45-31-33-51-56(36-45)62-55-35-44(38-22-26-41(27-23-38)52-21-11-12-34-59-52)30-32-50(55)58(51)48-19-9-7-17-46(48)47-18-8-10-20-49(47)58/h1-37H
InChIKeyWHLVZCLOKDYJKS-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.34
Rot. Bonds6

About 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine

2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine (PubChem CID 167178462) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
PubChem CID167178462
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7ccccn7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N3O/c1-3-13-40(14-4-1)53-37-54(61-57(60-53)43-15-5-2-6-16-43)42-28-24-39(25-29-42)45-31-33-51-56(36-45)62-55-35-44(38-22-26-41(27-23-38)52-21-11-12-34-59-52)30-32-50(55)58(51)48-19-9-7-17-46(48)47-18-8-10-20-49(47)58/h1-37H
InChIKeyWHLVZCLOKDYJKS-UHFFFAOYSA-N
XLogP14.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
CID 167177922
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
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-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine (CID 167178462) is 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)Oc4cc(-c6ccc(-c7ccccn7)cc6)ccc4C54c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
The InChIKey is WHLVZCLOKDYJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-3-13-40(14-4-1)53-37-54(61-57(60-53)43-15-5-2-6-16-43)42-28-24-39(25-29-42)45-31-33-51-56(36-45)62-55-35-44(38-22-26-41(27-23-38)52-21-11-12-34-59-52)30-32-50(55)58(51)48-19-9-7-17-46(48)47-18-8-10-20-49(47)58/h1-37H.
What are the key properties of 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine has a molecular weight of 791.95 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine is sourced from PubChem (CID 167178462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).