2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine

C50H32N2 — CID 118314536

IUPAC2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)n2)cc1
InChIInChI=1S/C50H32N2/c1-5-15-33(16-6-1)43-31-42(47(38-21-11-4-12-22-38)49-41-26-14-24-37-23-13-25-40(46(37)41)48(43)49)34-27-29-39(30-28-34)50-51-44(35-17-7-2-8-18-35)32-45(52-50)36-19-9-3-10-20-36/h1-32H
InChIKeyLSFHYFNTTQSSDG-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.28
Rot. Bonds6

About 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine

2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 118314536) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID118314536
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)n2)cc1
InChIInChI=1S/C50H32N2/c1-5-15-33(16-6-1)43-31-42(47(38-21-11-4-12-22-38)49-41-26-14-24-37-23-13-25-40(46(37)41)48(43)49)34-27-29-39(30-28-34)50-51-44(35-17-7-2-8-18-35)32-45(52-50)36-19-9-3-10-20-36/h1-32H
InChIKeyLSFHYFNTTQSSDG-UHFFFAOYSA-N
XLogP13.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenylpyrimidin-4-yl]aniline
CID 166868436
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160870715
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
CID 86040255
4-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 118314559
4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647988
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647992

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine (CID 118314536) is 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)n2)cc1.
What is the InChIKey of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is LSFHYFNTTQSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-5-15-33(16-6-1)43-31-42(47(38-21-11-4-12-22-38)49-41-26-14-24-37-23-13-25-40(46(37)41)48(43)49)34-27-29-39(30-28-34)50-51-44(35-17-7-2-8-18-35)32-45(52-50)36-19-9-3-10-20-36/h1-32H.
What are the key properties of 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine?
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 660.82 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 118314536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).