4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine

C57H40N2 — CID 168779810

IUPAC4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccc(-c6ccccc6)cc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21
InChIInChI=1S/C57H40N2/c1-57(2)50-26-14-25-49(55(50)54-44-22-10-9-19-40(44)31-34-51(54)57)47-32-33-48(46-24-12-11-23-45(46)47)53-36-52(43-21-13-20-42(35-43)38-17-7-4-8-18-38)58-56(59-53)41-29-27-39(28-30-41)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyVQCIFNIDWMAAEV-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

About 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine (PubChem CID 168779810) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
PubChem CID168779810
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccc(-c6ccccc6)cc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21
InChIInChI=1S/C57H40N2/c1-57(2)50-26-14-25-49(55(50)54-44-22-10-9-19-40(44)31-34-51(54)57)47-32-33-48(46-24-12-11-23-45(46)47)53-36-52(43-21-13-20-42(35-43)38-17-7-4-8-18-38)58-56(59-53)41-29-27-39(28-30-41)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyVQCIFNIDWMAAEV-UHFFFAOYSA-N
XLogP15.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168779572
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-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779603
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 168778016
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155
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-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632096
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 168779125
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
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-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777372
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine (CID 168779810) is 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine is CC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccc(-c6ccccc6)cc5)n4)c4ccccc34)c2-c2c1ccc1ccccc21.
What is the InChIKey of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?
The InChIKey is VQCIFNIDWMAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)50-26-14-25-49(55(50)54-44-22-10-9-19-40(44)31-34-51(54)57)47-32-33-48(46-24-12-11-23-45(46)47)53-36-52(43-21-13-20-42(35-43)38-17-7-4-8-18-38)58-56(59-53)41-29-27-39(28-30-41)37-15-5-3-6-16-37/h3-36H,1-2H3.
What are the key properties of 4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine?
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine has a molecular weight of 752.96 g/mol, XLogP of 15.09, 6 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)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 168779810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).