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

C40H29N3 — CID 146632850

IUPAC4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C40H29N3/c1-40(2)34-21-19-27-9-6-7-13-32(27)38(34)33-20-18-30(23-35(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/h3-25H,1-2H3
InChIKeyDMFSVJJXUCEMCP-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.00
Rot. Bonds4

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

4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 146632850) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID146632850
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C40H29N3/c1-40(2)34-21-19-27-9-6-7-13-32(27)38(34)33-20-18-30(23-35(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/h3-25H,1-2H3
InChIKeyDMFSVJJXUCEMCP-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632843
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-[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-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[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)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 146632850) is 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is DMFSVJJXUCEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-40(2)34-21-19-27-9-6-7-13-32(27)38(34)33-20-18-30(23-35(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/h3-25H,1-2H3.
What are the key properties of 4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 551.69 g/mol, XLogP of 10.00, 4 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)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 146632850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).