4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine

C54H34N2 — CID 168756342

IUPAC4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)cc5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H34N2/c1-3-13-35(14-4-1)51-34-52(56-54(55-51)37-15-5-2-6-16-37)43-23-10-22-42(30-43)49-33-44(31-41-17-7-8-24-45(41)49)39-21-9-20-38(29-39)40-27-28-46-47-25-11-18-36-19-12-26-48(53(36)47)50(46)32-40/h1-34H
InChIKeyLSRZCHUYYBVLSI-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.43
Rot. Bonds6

About 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine

4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 168756342) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID168756342
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)cc5ccccc45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H34N2/c1-3-13-35(14-4-1)51-34-52(56-54(55-51)37-15-5-2-6-16-37)43-23-10-22-42(30-43)49-33-44(31-41-17-7-8-24-45(41)49)39-21-9-20-38(29-39)40-27-28-46-47-25-11-18-36-19-12-26-48(53(36)47)50(46)32-40/h1-34H
InChIKeyLSRZCHUYYBVLSI-UHFFFAOYSA-N
XLogP14.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 121338959
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 165168371
2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756531
4-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653679

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine (CID 168756342) is 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)cc5ccccc45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is LSRZCHUYYBVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-13-35(14-4-1)51-34-52(56-54(55-51)37-15-5-2-6-16-37)43-23-10-22-42(30-43)49-33-44(31-41-17-7-8-24-45(41)49)39-21-9-20-38(29-39)40-27-28-46-47-25-11-18-36-19-12-26-48(53(36)47)50(46)32-40/h1-34H.
What are the key properties of 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 710.88 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 168756342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).