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

C151H96N8O3 — CID 158257861

IUPAC4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C59H38N2O.2C46H29N3O/c1-3-18-39(19-4-1)45-26-7-8-29-49(45)55-38-54(40-20-5-2-6-21-40)60-58(61-55)44-25-16-23-42(37-44)41-22-15-24-43(36-41)46-30-17-34-53-57(46)62-56-35-14-13-33-52(56)59(53)50-31-11-9-27-47(50)48-28-10-12-32-51(48)59;1-3-15-30(16-4-1)41-29-42(31-17-5-2-6-18-31)49-45(48-41)40-27-14-26-39(47-40)34-21-13-25-38-44(34)50-43-28-12-11-24-37(43)46(38)35-22-9-7-19-32(35)33-20-8-10-23-36(33)46;1-3-14-30(15-4-1)41-28-42(31-16-5-2-6-17-31)49-45(48-41)32-26-27-40(47-29-32)35-20-13-24-39-44(35)50-43-25-12-11-23-38(43)46(39)36-21-9-7-18-33(36)34-19-8-10-22-37(34)46/h1-38H;2*1-29H
InChIKeyGHMRCFPZNWWPEM-UHFFFAOYSA-N
MW2070.48 g/mol
LogP36.96
Rot. Bonds14

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

4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine (PubChem CID 158257861) has the molecular formula C151H96N8O3 and a molecular weight of 2070.48 g/mol. Its IUPAC name is 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
PubChem CID158257861
Molecular FormulaC151H96N8O3
Molecular Weight2070.48 g/mol
Exact Mass2068.76
IUPAC Name4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C59H38N2O.2C46H29N3O/c1-3-18-39(19-4-1)45-26-7-8-29-49(45)55-38-54(40-20-5-2-6-21-40)60-58(61-55)44-25-16-23-42(37-44)41-22-15-24-43(36-41)46-30-17-34-53-57(46)62-56-35-14-13-33-52(56)59(53)50-31-11-9-27-47(50)48-28-10-12-32-51(48)59;1-3-15-30(16-4-1)41-29-42(31-17-5-2-6-18-31)49-45(48-41)40-27-14-26-39(47-40)34-21-13-25-38-44(34)50-43-28-12-11-24-37(43)46(38)35-22-9-7-19-32(35)33-20-8-10-23-36(33)46;1-3-14-30(15-4-1)41-28-42(31-16-5-2-6-17-31)49-45(48-41)32-26-27-40(47-29-32)35-20-13-24-39-44(35)50-43-25-12-11-23-38(43)46(39)36-21-9-7-18-33(36)34-19-8-10-22-37(34)46/h1-38H;2*1-29H
InChIKeyGHMRCFPZNWWPEM-UHFFFAOYSA-N
XLogP36.96
TPSA130.81 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.48
LogP ≤ 536.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Related Compounds

4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine
CID 130379985
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
2-phenyl-4-(2-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388570
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
CID 146343142
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774
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

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine (CID 158257861) is 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)nc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
The InChIKey is GHMRCFPZNWWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O.2C46H29N3O/c1-3-18-39(19-4-1)45-26-7-8-29-49(45)55-38-54(40-20-5-2-6-21-40)60-58(61-55)44-25-16-23-42(37-44)41-22-15-24-43(36-41)46-30-17-34-53-57(46)62-56-35-14-13-33-52(56)59(53)50-31-11-9-27-47(50)48-28-10-12-32-51(48)59;1-3-15-30(16-4-1)41-29-42(31-17-5-2-6-18-31)49-45(48-41)40-27-14-26-39(47-40)34-21-13-25-38-44(34)50-43-28-12-11-24-37(43)46(38)35-22-9-7-19-32(35)33-20-8-10-23-36(33)46;1-3-14-30(15-4-1)41-28-42(31-16-5-2-6-17-31)49-45(48-41)32-26-27-40(47-29-32)35-20-13-24-39-44(35)50-43-25-12-11-23-38(43)46(39)36-21-9-7-18-33(36)34-19-8-10-22-37(34)46/h1-38H;2*1-29H.
What are the key properties of 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine?
4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine has a molecular weight of 2070.48 g/mol, XLogP of 36.96, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-2-pyridinyl)pyrimidine;4,6-diphenyl-2-(6-spiro[fluorene-9,9'-xanthene]-4'-yl-3-pyridinyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 158257861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).