4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine

C150H101N9 — CID 160580009

IUPAC4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
SMILESCC1(C)c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2-c2c1ccc1ccccc21.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C52H33N3.C52H35N3.C46H33N3/c1-2-12-34(13-3-1)37-14-10-15-39(30-37)51-54-49(36-25-23-35(24-26-36)40-16-11-29-53-33-40)32-50(55-51)38-27-28-48-44(31-38)43-19-6-9-22-47(43)52(48)45-20-7-4-17-41(45)42-18-5-8-21-46(42)52;1-4-14-36(15-5-1)39-16-12-17-41(32-39)51-54-49(38-27-25-37(26-28-38)42-18-13-31-53-35-42)34-50(55-51)40-29-30-48-46(33-40)45-23-10-11-24-47(45)52(48,43-19-6-2-7-20-43)44-21-8-3-9-22-44;1-46(2)40-23-22-35(27-39(40)44-38-16-7-6-12-32(38)21-24-41(44)46)43-28-42(33-19-17-31(18-20-33)37-15-9-25-47-29-37)48-45(49-43)36-14-8-13-34(26-36)30-10-4-3-5-11-30/h1-33H;1-35H;3-29H,1-2H3
InChIKeyRBQRTOQRWCHDQJ-UHFFFAOYSA-N
MW2029.52 g/mol
LogP36.79
Rot. Bonds17

About 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine

4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine (PubChem CID 160580009) has the molecular formula C150H101N9 and a molecular weight of 2029.52 g/mol. Its IUPAC name is 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
PubChem CID160580009
Molecular FormulaC150H101N9
Molecular Weight2029.52 g/mol
Exact Mass2027.82
IUPAC Name4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
SMILESCC1(C)c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2-c2c1ccc1ccccc21.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C52H33N3.C52H35N3.C46H33N3/c1-2-12-34(13-3-1)37-14-10-15-39(30-37)51-54-49(36-25-23-35(24-26-36)40-16-11-29-53-33-40)32-50(55-51)38-27-28-48-44(31-38)43-19-6-9-22-47(43)52(48)45-20-7-4-17-41(45)42-18-5-8-21-46(42)52;1-4-14-36(15-5-1)39-16-12-17-41(32-39)51-54-49(38-27-25-37(26-28-38)42-18-13-31-53-35-42)34-50(55-51)40-29-30-48-46(33-40)45-23-10-11-24-47(45)52(48,43-19-6-2-7-20-43)44-21-8-3-9-22-44;1-46(2)40-23-22-35(27-39(40)44-38-16-7-6-12-32(38)21-24-41(44)46)43-28-42(33-19-17-31(18-20-33)37-15-9-25-47-29-37)48-45(49-43)36-14-8-13-34(26-36)30-10-4-3-5-11-30/h1-33H;1-35H;3-29H,1-2H3
InChIKeyRBQRTOQRWCHDQJ-UHFFFAOYSA-N
XLogP36.79
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002029.52
LogP ≤ 536.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine with MolForge

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Related Compounds

4-[3-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161311326
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 157173737
2-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine;2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine;2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 161086297
2-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777222
4-(11,11-dimethylbenzo[a]fluoren-8-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-4-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine;4-phenyl-2-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 158606236
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
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
4-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631917
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 159513755
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632850
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632843

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine?
The IUPAC name of 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine (CID 160580009) is 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine.
What is the SMILES notation for 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine?
The canonical SMILES for 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine is CC1(C)c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2-c2c1ccc1ccccc21.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine?
The InChIKey is RBQRTOQRWCHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3.C52H35N3.C46H33N3/c1-2-12-34(13-3-1)37-14-10-15-39(30-37)51-54-49(36-25-23-35(24-26-36)40-16-11-29-53-33-40)32-50(55-51)38-27-28-48-44(31-38)43-19-6-9-22-47(43)52(48)45-20-7-4-17-41(45)42-18-5-8-21-46(42)52;1-4-14-36(15-5-1)39-16-12-17-41(32-39)51-54-49(38-27-25-37(26-28-38)42-18-13-31-53-35-42)34-50(55-51)40-29-30-48-46(33-40)45-23-10-11-24-47(45)52(48,43-19-6-2-7-20-43)44-21-8-3-9-22-44;1-46(2)40-23-22-35(27-39(40)44-38-16-7-6-12-32(38)21-24-41(44)46)43-28-42(33-19-17-31(18-20-33)37-15-9-25-47-29-37)48-45(49-43)36-14-8-13-34(26-36)30-10-4-3-5-11-30/h1-33H;1-35H;3-29H,1-2H3.
What are the key properties of 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine?
4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine has a molecular weight of 2029.52 g/mol, XLogP of 36.79, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine is sourced from PubChem (CID 160580009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).