4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine

C134H97N9 — CID 160666449

IUPAC4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5ccccc5)nc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/2C46H33N3.C42H31N3/c1-46(2)39-25-22-32-13-9-10-16-37(32)44(39)38-24-21-35(27-40(38)46)42-28-43(36-23-26-41(47-29-36)33-14-7-4-8-15-33)49-45(48-42)34-19-17-31(18-20-34)30-11-5-3-6-12-30;1-46(2)40-28-36(24-25-38(40)39-26-23-32-12-6-7-13-37(32)44(39)46)43-29-42(34-19-17-33(18-20-34)41-14-8-9-27-47-41)48-45(49-43)35-21-15-31(16-22-35)30-10-4-3-5-11-30;1-42(2)37-11-7-6-10-35(37)36-26-34(20-21-38(36)42)40-27-39(32-16-12-30(13-17-32)31-22-24-43-25-23-31)44-41(45-40)33-18-14-29(15-19-33)28-8-4-3-5-9-28/h2*3-29H,1-2H3;3-27H,1-2H3
InChIKeyRMJCCMREMOVRPW-UHFFFAOYSA-N
MW1833.31 g/mol
LogP33.85
Rot. Bonds15

About 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine

4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 160666449) has the molecular formula C134H97N9 and a molecular weight of 1833.31 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID160666449
Molecular FormulaC134H97N9
Molecular Weight1833.31 g/mol
Exact Mass1831.79
IUPAC Name4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5ccccc5)nc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/2C46H33N3.C42H31N3/c1-46(2)39-25-22-32-13-9-10-16-37(32)44(39)38-24-21-35(27-40(38)46)42-28-43(36-23-26-41(47-29-36)33-14-7-4-8-15-33)49-45(48-42)34-19-17-31(18-20-34)30-11-5-3-6-12-30;1-46(2)40-28-36(24-25-38(40)39-26-23-32-12-6-7-13-37(32)44(39)46)43-29-42(34-19-17-33(18-20-34)41-14-8-9-27-47-41)48-45(49-43)35-21-15-31(16-22-35)30-10-4-3-5-11-30;1-42(2)37-11-7-6-10-35(37)36-26-34(20-21-38(36)42)40-27-39(32-16-12-30(13-17-32)31-22-24-43-25-23-31)44-41(45-40)33-18-14-29(15-19-33)28-8-4-3-5-9-28/h2*3-29H,1-2H3;3-27H,1-2H3
InChIKeyRMJCCMREMOVRPW-UHFFFAOYSA-N
XLogP33.85
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001833.31
LogP ≤ 533.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-[4-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 158894060
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(9,9-diphenylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 162261187
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-[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
4-[3-[3-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]phenyl]phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-[3-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 162076322
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
4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)phenyl]-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine;4-[4-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 161174872
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158392620
4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 146632178
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-[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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 160814646

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine (CID 160666449) is 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine is CC1(C)c2cc(-c3cc(-c4ccc(-c5ccccc5)nc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21.
What is the InChIKey of 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is RMJCCMREMOVRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H33N3.C42H31N3/c1-46(2)39-25-22-32-13-9-10-16-37(32)44(39)38-24-21-35(27-40(38)46)42-28-43(36-23-26-41(47-29-36)33-14-7-4-8-15-33)49-45(48-42)34-19-17-31(18-20-34)30-11-5-3-6-12-30;1-46(2)40-28-36(24-25-38(40)39-26-23-32-12-6-7-13-37(32)44(39)46)43-29-42(34-19-17-33(18-20-34)41-14-8-9-27-47-41)48-45(49-43)35-21-15-31(16-22-35)30-10-4-3-5-11-30;1-42(2)37-11-7-6-10-35(37)36-26-34(20-21-38(36)42)40-27-39(32-16-12-30(13-17-32)31-22-24-43-25-23-31)44-41(45-40)33-18-14-29(15-19-33)28-8-4-3-5-9-28/h2*3-29H,1-2H3;3-27H,1-2H3.
What are the key properties of 4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine?
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 1833.31 g/mol, XLogP of 33.85, 15 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-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)pyrimidine;4-(9,9-dimethylfluoren-3-yl)-2-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 160666449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).