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

C57H40N2 — CID 168777644

IUPAC4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5ccccc5)n4)c4ccccc34)c21
InChIInChI=1S/C57H40N2/c1-57(2)52-35-44-20-10-9-19-43(44)34-51(52)50-26-14-25-49(55(50)57)47-31-32-48(46-24-12-11-23-45(46)47)54-36-53(58-56(59-54)40-17-7-4-8-18-40)39-29-27-38(28-30-39)42-22-13-21-41(33-42)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyVQBQPIUDWMUYPI-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

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

4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine (PubChem CID 168777644) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
PubChem CID168777644
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5ccccc5)n4)c4ccccc34)c21
InChIInChI=1S/C57H40N2/c1-57(2)52-35-44-20-10-9-19-43(44)34-51(52)50-26-14-25-49(55(50)57)47-31-32-48(46-24-12-11-23-45(46)47)54-36-53(58-56(59-54)40-17-7-4-8-18-40)39-29-27-38(28-30-39)42-22-13-21-41(33-42)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyVQBQPIUDWMUYPI-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-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 168778157
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777849
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168777017
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168778651
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779898
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777321
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778444
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779834

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine (CID 168777644) is 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5ccccc5)n4)c4ccccc34)c21.
What is the InChIKey of 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine?
The InChIKey is VQBQPIUDWMUYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)52-35-44-20-10-9-19-43(44)34-51(52)50-26-14-25-49(55(50)57)47-31-32-48(46-24-12-11-23-45(46)47)54-36-53(58-56(59-54)40-17-7-4-8-18-40)39-29-27-38(28-30-39)42-22-13-21-41(33-42)37-15-5-3-6-16-37/h3-36H,1-2H3.
What are the key properties of 4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine?
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]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-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 168777644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).