4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

C47H34N2 — CID 146632096

IUPAC4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C47H34N2/c1-47(2)40-19-11-18-39(44(40)45-38-17-10-9-14-33(38)28-29-41(45)47)34-22-24-36(25-23-34)43-30-42(35-15-7-4-8-16-35)48-46(49-43)37-26-20-32(21-27-37)31-12-5-3-6-13-31/h3-30H,1-2H3
InChIKeyFITPGGCQKJQKSC-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.27
Rot. Bonds5

About 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 146632096) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID146632096
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C47H34N2/c1-47(2)40-19-11-18-39(44(40)45-38-17-10-9-14-33(38)28-29-41(45)47)34-22-24-36(25-23-34)43-30-42(35-15-7-4-8-16-35)48-46(49-43)37-26-20-32(21-27-37)31-12-5-3-6-13-31/h3-30H,1-2H3
InChIKeyFITPGGCQKJQKSC-UHFFFAOYSA-N
XLogP12.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632037
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146633346
4-[4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168778143
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779810
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779685
4-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176794265
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168779572
4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632151
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176795106
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
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 146632096) is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is CC1(C)c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2-c2c1ccc1ccccc21.
What is the InChIKey of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is FITPGGCQKJQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-47(2)40-19-11-18-39(44(40)45-38-17-10-9-14-33(38)28-29-41(45)47)34-22-24-36(25-23-34)43-30-42(35-15-7-4-8-16-35)48-46(49-43)37-26-20-32(21-27-37)31-12-5-3-6-13-31/h3-30H,1-2H3.
What are the key properties of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 626.80 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 146632096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).