2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine

C47H36N2O2 — CID 118860653

IUPAC2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine
SMILESC1=CCC2C(=C1)OC1=C(CCC(C3C=CC=C(c4ccccc4)N3)=C1)C21c2ccccc2Oc2cc(-c3cccc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C47H36N2O2/c1-3-13-31(14-4-1)39-19-11-21-41(48-39)33-25-27-37-45(29-33)50-43-23-9-7-17-35(43)47(37)36-18-8-10-24-44(36)51-46-30-34(26-28-38(46)47)42-22-12-20-40(49-42)32-15-5-2-6-16-32/h1-17,19-25,27,29-30,36,42,49H,18,26,28H2
InChIKeyDZURTVXJUQUNAM-UHFFFAOYSA-N
MW660.82 g/mol
LogP10.84
Rot. Bonds4

About 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine

2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine (PubChem CID 118860653) has the molecular formula C47H36N2O2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine
PubChem CID118860653
Molecular FormulaC47H36N2O2
Molecular Weight660.82 g/mol
Exact Mass660.28
IUPAC Name2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine
SMILESC1=CCC2C(=C1)OC1=C(CCC(C3C=CC=C(c4ccccc4)N3)=C1)C21c2ccccc2Oc2cc(-c3cccc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C47H36N2O2/c1-3-13-31(14-4-1)39-19-11-21-41(48-39)33-25-27-37-45(29-33)50-43-23-9-7-17-35(43)47(37)36-18-8-10-24-44(36)51-46-30-34(26-28-38(46)47)42-22-12-20-40(49-42)32-15-5-2-6-16-32/h1-17,19-25,27,29-30,36,42,49H,18,26,28H2
InChIKeyDZURTVXJUQUNAM-UHFFFAOYSA-N
XLogP10.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-6-(6-phenyl-1,2-dihydropyridin-2-yl)pyridine
CID 102265400
9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
CID 118860674
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443482
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 130379921
4-(4-cyclohexa-2,4-dien-1-ylnaphthalen-1-yl)-6-phenyl-2-(2-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)pyrimidine
CID 130379515
4-phenyl-6-(6-phenylcyclohexa-1,3-dien-1-yl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443087
4-(1,2-dihydropyridin-6-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389212
9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole
CID 118861144
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-[(6S)-6-methylcyclohexa-1,3-dien-1-yl]-6-[(6R)-6-methyl-4-phenylcyclohexa-2,4-dien-1-yl]-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130379868
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine?
The IUPAC name of 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine (CID 118860653) is 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine.
What is the SMILES notation for 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine?
The canonical SMILES for 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine is C1=CCC2C(=C1)OC1=C(CCC(C3C=CC=C(c4ccccc4)N3)=C1)C21c2ccccc2Oc2cc(-c3cccc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine?
The InChIKey is DZURTVXJUQUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2O2/c1-3-13-31(14-4-1)39-19-11-21-41(48-39)33-25-27-37-45(29-33)50-43-23-9-7-17-35(43)47(37)36-18-8-10-24-44(36)51-46-30-34(26-28-38(46)47)42-22-12-20-40(49-42)32-15-5-2-6-16-32/h1-17,19-25,27,29-30,36,42,49H,18,26,28H2.
What are the key properties of 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine?
2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine has a molecular weight of 660.82 g/mol, XLogP of 10.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine is sourced from PubChem (CID 118860653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).