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

C122H85N9 — CID 158606236

IUPAC4-(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
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cccc21.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C46H29N3.C40H29N3.C36H27N3/c1-2-12-31(13-3-1)42-28-43(49-45(48-42)32-25-23-30(24-26-32)33-14-11-27-47-29-33)37-18-10-22-41-44(37)36-17-6-9-21-40(36)46(41)38-19-7-4-15-34(38)35-16-5-8-20-39(35)46;1-40(2)35-21-19-30(23-34(35)33-20-18-27-9-6-7-13-32(27)38(33)40)37-24-36(28-10-4-3-5-11-28)42-39(43-37)29-16-14-26(15-17-29)31-12-8-22-41-25-31;1-36(2)30-15-7-6-13-28(30)34-29(14-8-16-31(34)36)33-22-32(25-10-4-3-5-11-25)38-35(39-33)26-19-17-24(18-20-26)27-12-9-21-37-23-27/h1-29H;3-25H,1-2H3;3-23H,1-2H3
InChIKeyHWGMJPMDZWOMFP-UHFFFAOYSA-N
MW1677.08 g/mol
LogP29.73
Rot. Bonds12

About 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

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 (PubChem CID 158606236) has the molecular formula C122H85N9 and a molecular weight of 1677.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158606236
Molecular FormulaC122H85N9
Molecular Weight1677.08 g/mol
Exact Mass1675.69
IUPAC Name4-(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
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cccc21.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C46H29N3.C40H29N3.C36H27N3/c1-2-12-31(13-3-1)42-28-43(49-45(48-42)32-25-23-30(24-26-32)33-14-11-27-47-29-33)37-18-10-22-41-44(37)36-17-6-9-21-40(36)46(41)38-19-7-4-15-34(38)35-16-5-8-20-39(35)46;1-40(2)35-21-19-30(23-34(35)33-20-18-27-9-6-7-13-32(27)38(33)40)37-24-36(28-10-4-3-5-11-28)42-39(43-37)29-16-14-26(15-17-29)31-12-8-22-41-25-31;1-36(2)30-15-7-6-13-28(30)34-29(14-8-16-31(34)36)33-22-32(25-10-4-3-5-11-25)38-35(39-33)26-19-17-24(18-20-26)27-12-9-21-37-23-27/h1-29H;3-25H,1-2H3;3-23H,1-2H3
InChIKeyHWGMJPMDZWOMFP-UHFFFAOYSA-N
XLogP29.73
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001677.08
LogP ≤ 529.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776871
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776985
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
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
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
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 162140385
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-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine;2-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159087399
2-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159702914

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cccc21.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is HWGMJPMDZWOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3.C40H29N3.C36H27N3/c1-2-12-31(13-3-1)42-28-43(49-45(48-42)32-25-23-30(24-26-32)33-14-11-27-47-29-33)37-18-10-22-41-44(37)36-17-6-9-21-40(36)46(41)38-19-7-4-15-34(38)35-16-5-8-20-39(35)46;1-40(2)35-21-19-30(23-34(35)33-20-18-27-9-6-7-13-32(27)38(33)40)37-24-36(28-10-4-3-5-11-28)42-39(43-37)29-16-14-26(15-17-29)31-12-8-22-41-25-31;1-36(2)30-15-7-6-13-28(30)34-29(14-8-16-31(34)36)33-22-32(25-10-4-3-5-11-25)38-35(39-33)26-19-17-24(18-20-26)27-12-9-21-37-23-27/h1-29H;3-25H,1-2H3;3-23H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1677.08 g/mol, XLogP of 29.73, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158606236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).