2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

C57H40N2 — CID 168777873

IUPAC2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6)n5)c5ccccc45)cc3)c21
InChIInChI=1S/C57H40N2/c1-57(2)51-35-32-38-18-9-10-22-44(38)54(51)50-27-15-26-45(55(50)57)40-30-28-39(29-31-40)43-33-34-49(47-24-13-12-23-46(43)47)56-58-52(41-19-7-4-8-20-41)36-53(59-56)48-25-14-11-21-42(48)37-16-5-3-6-17-37/h3-36H,1-2H3
InChIKeyBNRQMDMZMNGPNX-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

About 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine

2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 168777873) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
PubChem CID168777873
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6)n5)c5ccccc45)cc3)c21
InChIInChI=1S/C57H40N2/c1-57(2)51-35-32-38-18-9-10-22-44(38)54(51)50-27-15-26-45(55(50)57)40-30-28-39(29-31-40)43-33-34-49(47-24-13-12-23-46(43)47)56-58-52(41-19-7-4-8-20-41)36-53(59-56)48-25-14-11-21-42(48)37-16-5-3-6-17-37/h3-36H,1-2H3
InChIKeyBNRQMDMZMNGPNX-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-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777408
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168778339
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168776669
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine
CID 168777844
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168776769
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168779572
2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777450
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168779770
2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778962

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine (CID 168777873) is 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6)n5)c5ccccc45)cc3)c21.
What is the InChIKey of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
The InChIKey is BNRQMDMZMNGPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)51-35-32-38-18-9-10-22-44(38)54(51)50-27-15-26-45(55(50)57)40-30-28-39(29-31-40)43-33-34-49(47-24-13-12-23-46(43)47)56-58-52(41-19-7-4-8-20-41)36-53(59-56)48-25-14-11-21-42(48)37-16-5-3-6-17-37/h3-36H,1-2H3.
What are the key properties of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine?
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-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 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 168777873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).