8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline

C162H101N9O3 — CID 164954461

IUPAC8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/2C56H35N3O.C50H31N3O/c1-3-13-37(14-4-1)50-35-51(38-15-5-2-6-16-38)59-55(58-50)40-26-24-36(25-27-40)41-28-30-46-44(33-41)45-34-42(43-19-11-17-39-18-12-32-57-54(39)43)29-31-47(45)56(46)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56;1-3-13-36(14-4-1)37-24-26-38(27-25-37)50-35-51(59-55(58-50)40-15-5-2-6-16-40)42-29-31-47-45(34-42)44-33-41(43-19-11-17-39-18-12-32-57-54(39)43)28-30-46(44)56(47)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56;1-3-13-32(14-4-1)44-31-45(53-49(52-44)34-15-5-2-6-16-34)36-25-27-41-39(30-36)38-29-35(37-19-11-17-33-18-12-28-51-48(33)37)24-26-40(38)50(41)42-20-7-9-22-46(42)54-47-23-10-8-21-43(47)50/h2*1-35H;1-31H
InChIKeyAZGNBOFOPKGBCK-UHFFFAOYSA-N
MW2221.65 g/mol
LogP39.82
Rot. Bonds14

About 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline

8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline (PubChem CID 164954461) has the molecular formula C162H101N9O3 and a molecular weight of 2221.65 g/mol. Its IUPAC name is 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline.

Molecular Properties

Compound Name8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
PubChem CID164954461
Molecular FormulaC162H101N9O3
Molecular Weight2221.65 g/mol
Exact Mass2219.80
IUPAC Name8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/2C56H35N3O.C50H31N3O/c1-3-13-37(14-4-1)50-35-51(38-15-5-2-6-16-38)59-55(58-50)40-26-24-36(25-27-40)41-28-30-46-44(33-41)45-34-42(43-19-11-17-39-18-12-32-57-54(39)43)29-31-47(45)56(46)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56;1-3-13-36(14-4-1)37-24-26-38(27-25-37)50-35-51(59-55(58-50)40-15-5-2-6-16-40)42-29-31-47-45(34-42)44-33-41(43-19-11-17-39-18-12-32-57-54(39)43)28-30-46(44)56(47)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56;1-3-13-32(14-4-1)44-31-45(53-49(52-44)34-15-5-2-6-16-34)36-25-27-41-39(30-36)38-29-35(37-19-11-17-33-18-12-28-51-48(33)37)24-26-40(38)50(41)42-20-7-9-22-46(42)54-47-23-10-8-21-43(47)50/h2*1-35H;1-31H
InChIKeyAZGNBOFOPKGBCK-UHFFFAOYSA-N
XLogP39.82
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002221.65
LogP ≤ 539.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline with MolForge

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Related Compounds

8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 146547799
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
8-[6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenylquinoline;8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;7-[6-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 165106906
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
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 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline?
The IUPAC name of 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline (CID 164954461) is 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline.
What is the SMILES notation for 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline?
The canonical SMILES for 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline is c1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6cccnc56)ccc3C43c4ccccc4Oc4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)-c4cc(-c6cccc7cccnc67)ccc4C54c5ccccc5Oc5ccccc54)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline?
The InChIKey is AZGNBOFOPKGBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N3O.C50H31N3O/c1-3-13-37(14-4-1)50-35-51(38-15-5-2-6-16-38)59-55(58-50)40-26-24-36(25-27-40)41-28-30-46-44(33-41)45-34-42(43-19-11-17-39-18-12-32-57-54(39)43)29-31-47(45)56(46)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56;1-3-13-36(14-4-1)37-24-26-38(27-25-37)50-35-51(59-55(58-50)40-15-5-2-6-16-40)42-29-31-47-45(34-42)44-33-41(43-19-11-17-39-18-12-32-57-54(39)43)28-30-46(44)56(47)48-20-7-9-22-52(48)60-53-23-10-8-21-49(53)56;1-3-13-32(14-4-1)44-31-45(53-49(52-44)34-15-5-2-6-16-34)36-25-27-41-39(30-36)38-29-35(37-19-11-17-33-18-12-28-51-48(33)37)24-26-40(38)50(41)42-20-7-9-22-46(42)54-47-23-10-8-21-43(47)50/h2*1-35H;1-31H.
What are the key properties of 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline?
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline has a molecular weight of 2221.65 g/mol, XLogP of 39.82, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline is sourced from PubChem (CID 164954461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).