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

C57H40N2 — CID 168778444

IUPAC4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3)c21
InChIInChI=1S/C57H40N2/c1-57(2)52-35-40-22-10-9-21-39(40)34-51(52)50-30-16-29-45(55(50)57)42-24-15-23-41(33-42)44-31-32-49(47-27-13-12-26-46(44)47)54-36-53(58-56(59-54)38-19-7-4-8-20-38)48-28-14-11-25-43(48)37-17-5-3-6-18-37/h3-36H,1-2H3
InChIKeyAAEOSMKNEDGIBT-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

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

4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168778444) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168778444
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3)c21
InChIInChI=1S/C57H40N2/c1-57(2)52-35-40-22-10-9-21-39(40)34-51(52)50-30-16-29-45(55(50)57)42-24-15-23-41(33-42)44-31-32-49(47-27-13-12-26-46(44)47)54-36-53(58-56(59-54)38-19-7-4-8-20-38)48-28-14-11-25-43(48)37-17-5-3-6-18-37/h3-36H,1-2H3
InChIKeyAAEOSMKNEDGIBT-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-[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]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777849
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 168778157
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 168777644
4-[4-[3-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168776629
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777339
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-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168778651
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778262
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779898
4-[4-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphthalen-1-yl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 168778081

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168778444) is 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3)c21.
What is the InChIKey of 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is AAEOSMKNEDGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)52-35-40-22-10-9-21-39(40)34-51(52)50-30-16-29-45(55(50)57)42-24-15-23-41(33-42)44-31-32-49(47-27-13-12-26-46(44)47)54-36-53(58-56(59-54)38-19-7-4-8-20-38)48-28-14-11-25-43(48)37-17-5-3-6-18-37/h3-36H,1-2H3.
What are the key properties of 4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine?
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-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-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168778444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).