2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine

C49H34N2 — CID 168779175

IUPAC2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H34N2/c1-49(2)43-27-24-34(29-42(43)47-37-19-9-7-14-32(37)23-28-44(47)49)36-25-26-41(39-21-11-10-20-38(36)39)48-50-45(33-15-4-3-5-16-33)30-46(51-48)40-22-12-17-31-13-6-8-18-35(31)40/h3-30H,1-2H3
InChIKeyONQGRZAGHOTKRG-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.91
Rot. Bonds4

About 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine

2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine (PubChem CID 168779175) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
PubChem CID168779175
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H34N2/c1-49(2)43-27-24-34(29-42(43)47-37-19-9-7-14-32(37)23-28-44(47)49)36-25-26-41(39-21-11-10-20-38(36)39)48-50-45(33-15-4-3-5-16-33)30-46(51-48)40-22-12-17-31-13-6-8-18-35(31)40/h3-30H,1-2H3
InChIKeyONQGRZAGHOTKRG-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[c]fluoren-10-yl)naphthalen-1-yl]-4-(3,4-diphenylphenyl)-6-phenylpyrimidine
CID 168777844
5-[2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidin-4-yl]quinoline
CID 168777015
4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 168777005
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892
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-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777408
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168776669
2-[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777222
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777873
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302
4-[4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168778143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The IUPAC name of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine (CID 168779175) is 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6ccccc56)n4)c4ccccc34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
The InChIKey is ONQGRZAGHOTKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)43-27-24-34(29-42(43)47-37-19-9-7-14-32(37)23-28-44(47)49)36-25-26-41(39-21-11-10-20-38(36)39)48-50-45(33-15-4-3-5-16-33)30-46(51-48)40-22-12-17-31-13-6-8-18-35(31)40/h3-30H,1-2H3.
What are the key properties of 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine?
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine has a molecular weight of 650.83 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine is sourced from PubChem (CID 168779175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).