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

C134H97N9 — CID 157173737

IUPAC4-(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
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/2C46H33N3.C42H31N3/c1-46(2)41-27-36(23-24-39(41)40-25-22-33-11-6-7-13-38(33)44(40)46)43-28-42(34-18-14-32(15-19-34)37-12-8-26-47-29-37)48-45(49-43)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-46(2)40-25-23-33-11-6-7-13-38(33)44(40)39-24-22-36(27-41(39)46)43-28-42(34-18-14-32(15-19-34)37-12-8-26-47-29-37)48-45(49-43)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-42(2)37-13-7-6-12-35(37)36-25-33(22-23-38(36)42)40-26-39(31-18-14-30(15-19-31)34-11-8-24-43-27-34)44-41(45-40)32-20-16-29(17-21-32)28-9-4-3-5-10-28/h2*3-29H,1-2H3;3-27H,1-2H3
InChIKeyANTOXBWFSCZZRP-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-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

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 (PubChem CID 157173737) 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-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.

Molecular Properties

Compound Name4-(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
PubChem CID157173737
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-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
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/2C46H33N3.C42H31N3/c1-46(2)41-27-36(23-24-39(41)40-25-22-33-11-6-7-13-38(33)44(40)46)43-28-42(34-18-14-32(15-19-34)37-12-8-26-47-29-37)48-45(49-43)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-46(2)40-25-23-33-11-6-7-13-38(33)44(40)39-24-22-36(27-41(39)46)43-28-42(34-18-14-32(15-19-34)37-12-8-26-47-29-37)48-45(49-43)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-42(2)37-13-7-6-12-35(37)36-25-33(22-23-38(36)42)40-26-39(31-18-14-30(15-19-31)34-11-8-24-43-27-34)44-41(45-40)32-20-16-29(17-21-32)28-9-4-3-5-10-28/h2*3-29H,1-2H3;3-27H,1-2H3
InChIKeyANTOXBWFSCZZRP-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-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 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-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-(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
4-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632085
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
4-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168776871
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
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-(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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21.CC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5cccnc5)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-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?
The InChIKey is ANTOXBWFSCZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H33N3.C42H31N3/c1-46(2)41-27-36(23-24-39(41)40-25-22-33-11-6-7-13-38(33)44(40)46)43-28-42(34-18-14-32(15-19-34)37-12-8-26-47-29-37)48-45(49-43)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-46(2)40-25-23-33-11-6-7-13-38(33)44(40)39-24-22-36(27-41(39)46)43-28-42(34-18-14-32(15-19-34)37-12-8-26-47-29-37)48-45(49-43)35-20-16-31(17-21-35)30-9-4-3-5-10-30;1-42(2)37-13-7-6-12-35(37)36-25-33(22-23-38(36)42)40-26-39(31-18-14-30(15-19-31)34-11-8-24-43-27-34)44-41(45-40)32-20-16-29(17-21-32)28-9-4-3-5-10-28/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-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?
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 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-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 is sourced from PubChem (CID 157173737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).