4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine

C46H33N3 — CID 146632843

IUPAC4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C46H33N3/c1-46(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/h3-29H,1-2H3
InChIKeyWWMMSYATCBZCSQ-UHFFFAOYSA-N
MW627.79 g/mol
LogP11.67
Rot. Bonds5

About 4-(7,7-dimethylbenzo[g]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 (PubChem CID 146632843) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID146632843
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C46H33N3/c1-46(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/h3-29H,1-2H3
InChIKeyWWMMSYATCBZCSQ-UHFFFAOYSA-N
XLogP11.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632850
4-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632085
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-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-pyridin-3-ylpyrimidine
CID 168777020
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-(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-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779314
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
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-[3-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632378
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
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 146632843) is 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(7,7-dimethylbenzo[g]fluoren-9-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.
What is the InChIKey of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is WWMMSYATCBZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-46(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/h3-29H,1-2H3.
What are the key properties of 4-(7,7-dimethylbenzo[g]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 has a molecular weight of 627.79 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 146632843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).