2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine

C59H40N2 — CID 168779793

IUPAC2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc7ccccc7c6)n5)c5ccccc45)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C59H40N2/c1-59(2)53-33-27-38-15-8-9-19-44(38)57(53)52-28-26-41(35-54(52)59)43-29-30-49(46-21-11-10-20-45(43)46)50-31-32-51(48-23-13-12-22-47(48)50)58-60-55(39-16-4-3-5-17-39)36-56(61-58)42-25-24-37-14-6-7-18-40(37)34-42/h3-36H,1-2H3
InChIKeyOAMZNQAJLRKAPR-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.73
Rot. Bonds5

About 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine

2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine (PubChem CID 168779793) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
PubChem CID168779793
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc7ccccc7c6)n5)c5ccccc45)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C59H40N2/c1-59(2)53-33-27-38-15-8-9-19-44(38)57(53)52-28-26-41(35-54(52)59)43-29-30-49(46-21-11-10-20-45(43)46)50-31-32-51(48-23-13-12-22-47(48)50)58-60-55(39-16-4-3-5-17-39)36-56(61-58)42-25-24-37-14-6-7-18-40(37)34-42/h3-36H,1-2H3
InChIKeyOAMZNQAJLRKAPR-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892
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-(3,4-diphenylphenyl)-6-phenylpyrimidine
CID 168777844
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-pyridin-3-ylpyrimidine
CID 168777020
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
4-dibenzothiophen-2-yl-2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779895
2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779175
4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168777155
2-[4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168777582
4-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167344604
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 159773726
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine?
The IUPAC name of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine (CID 168779793) is 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccc7ccccc7c6)n5)c5ccccc45)c4ccccc34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine?
The InChIKey is OAMZNQAJLRKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-59(2)53-33-27-38-15-8-9-19-44(38)57(53)52-28-26-41(35-54(52)59)43-29-30-49(46-21-11-10-20-45(43)46)50-31-32-51(48-23-13-12-22-47(48)50)58-60-55(39-16-4-3-5-17-39)36-56(61-58)42-25-24-37-14-6-7-18-40(37)34-42/h3-36H,1-2H3.
What are the key properties of 2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine?
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine has a molecular weight of 776.98 g/mol, XLogP of 15.73, 5 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-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine is sourced from PubChem (CID 168779793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).