4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine

C156H107N9 — CID 160776229

IUPAC4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6cccnc6)cc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccncc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc21.c1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H35N3.C52H37N3.C48H35N3/c1-2-15-43-38(11-1)12-10-19-44(43)40-13-9-14-41(33-40)54-35-53(39-25-23-36(24-26-39)37-29-31-57-32-30-37)58-55(59-54)42-27-28-48-47-18-5-8-22-51(47)56(52(48)34-42)49-20-6-3-16-45(49)46-17-4-7-21-50(46)56;1-52(2)47-18-6-5-16-45(47)46-28-27-39(31-48(46)52)34-19-23-37(24-20-34)49-32-50(38-25-21-35(22-26-38)42-14-9-29-53-33-42)55-51(54-49)41-13-7-12-40(30-41)44-17-8-11-36-10-3-4-15-43(36)44;1-48(2)43-14-7-6-13-41(43)42-24-23-39(30-44(42)48)34-17-21-37(22-18-34)46-31-45(36-19-15-33(16-20-36)35-25-27-49-28-26-35)50-47(51-46)40-12-8-11-38(29-40)32-9-4-3-5-10-32/h1-35H;3-33H,1-2H3;3-31H,1-2H3
InChIKeyRZZDAYGIBXYYQA-UHFFFAOYSA-N
MW2107.63 g/mol
LogP39.22
Rot. Bonds17

About 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine

4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine (PubChem CID 160776229) has the molecular formula C156H107N9 and a molecular weight of 2107.63 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
PubChem CID160776229
Molecular FormulaC156H107N9
Molecular Weight2107.63 g/mol
Exact Mass2105.86
IUPAC Name4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6cccnc6)cc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccncc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc21.c1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H35N3.C52H37N3.C48H35N3/c1-2-15-43-38(11-1)12-10-19-44(43)40-13-9-14-41(33-40)54-35-53(39-25-23-36(24-26-39)37-29-31-57-32-30-37)58-55(59-54)42-27-28-48-47-18-5-8-22-51(47)56(52(48)34-42)49-20-6-3-16-45(49)46-17-4-7-21-50(46)56;1-52(2)47-18-6-5-16-45(47)46-28-27-39(31-48(46)52)34-19-23-37(24-20-34)49-32-50(38-25-21-35(22-26-38)42-14-9-29-53-33-42)55-51(54-49)41-13-7-12-40(30-41)44-17-8-11-36-10-3-4-15-43(36)44;1-48(2)43-14-7-6-13-41(43)42-24-23-39(30-44(42)48)34-17-21-37(22-18-34)46-31-45(36-19-15-33(16-20-36)35-25-27-49-28-26-35)50-47(51-46)40-12-8-11-38(29-40)32-9-4-3-5-10-32/h1-35H;3-33H,1-2H3;3-31H,1-2H3
InChIKeyRZZDAYGIBXYYQA-UHFFFAOYSA-N
XLogP39.22
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms165
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002107.63
LogP ≤ 539.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The IUPAC name of 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine (CID 160776229) is 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine.
What is the SMILES notation for 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The canonical SMILES for 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6cccnc6)cc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccncc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc21.c1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
The InChIKey is RZZDAYGIBXYYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3.C52H37N3.C48H35N3/c1-2-15-43-38(11-1)12-10-19-44(43)40-13-9-14-41(33-40)54-35-53(39-25-23-36(24-26-39)37-29-31-57-32-30-37)58-55(59-54)42-27-28-48-47-18-5-8-22-51(47)56(52(48)34-42)49-20-6-3-16-45(49)46-17-4-7-21-50(46)56;1-52(2)47-18-6-5-16-45(47)46-28-27-39(31-48(46)52)34-19-23-37(24-20-34)49-32-50(38-25-21-35(22-26-38)42-14-9-29-53-33-42)55-51(54-49)41-13-7-12-40(30-41)44-17-8-11-36-10-3-4-15-43(36)44;1-48(2)43-14-7-6-13-41(43)42-24-23-39(30-44(42)48)34-17-21-37(22-18-34)46-31-45(36-19-15-33(16-20-36)35-25-27-49-28-26-35)50-47(51-46)40-12-8-11-38(29-40)32-9-4-3-5-10-32/h1-35H;3-33H,1-2H3;3-31H,1-2H3.
What are the key properties of 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine?
4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine has a molecular weight of 2107.63 g/mol, XLogP of 39.22, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine is sourced from PubChem (CID 160776229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).