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

C57H40N2 — CID 168779406

IUPAC2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccc5-c5ccccc5)n4)c4ccccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H40N2/c1-57(2)52-35-43(29-30-48(52)51-33-41-19-9-10-20-42(41)34-53(51)57)45-31-32-50(47-23-13-12-22-46(45)47)56-58-54(40-27-25-38(26-28-40)37-15-5-3-6-16-37)36-55(59-56)49-24-14-11-21-44(49)39-17-7-4-8-18-39/h3-36H,1-2H3
InChIKeyFLDCWBRDOBSYLV-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

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

2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine (PubChem CID 168779406) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
PubChem CID168779406
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccc5-c5ccccc5)n4)c4ccccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H40N2/c1-57(2)52-35-43(29-30-48(52)51-33-41-19-9-10-20-42(41)34-53(51)57)45-31-32-50(47-23-13-12-22-46(45)47)56-58-54(40-27-25-38(26-28-40)37-15-5-3-6-16-37)36-55(59-56)49-24-14-11-21-44(49)39-17-7-4-8-18-39/h3-36H,1-2H3
InChIKeyFLDCWBRDOBSYLV-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

2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
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-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777339
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 168778849
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778246
2-[4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168777582
2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779041
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine (CID 168779406) is 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine is CC1(C)c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccc5-c5ccccc5)n4)c4ccccc34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The InChIKey is FLDCWBRDOBSYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)52-35-43(29-30-48(52)51-33-41-19-9-10-20-42(41)34-53(51)57)45-31-32-50(47-23-13-12-22-46(45)47)56-58-54(40-27-25-38(26-28-40)37-15-5-3-6-16-37)36-55(59-56)49-24-14-11-21-44(49)39-17-7-4-8-18-39/h3-36H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(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 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 168779406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).