2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine

C66H40N2 — CID 134448228

IUPAC2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cc5c6c(ccc(-c7ccc8c(c7)-c7cc(-c9ccc(-c%10ccccc%10-c%10ccccn%10)cc9)cc9cccc-8c79)c6c4)-c4ccccc4-5)cc3)cc2)nc1
InChIInChI=1S/C66H40N2/c1-4-14-56(64-17-6-8-35-68-64)51(11-1)45-26-22-43(23-27-45)49-36-48-10-9-15-57-55-31-30-47(37-59(55)62(38-49)65(48)57)52-32-33-58-53-12-2-3-13-54(53)61-40-50(39-60(52)66(58)61)44-20-18-41(19-21-44)42-24-28-46(29-25-42)63-16-5-7-34-67-63/h1-40H
InChIKeyJKYBSCGYZDUBMG-UHFFFAOYSA-N
MW861.06 g/mol
LogP17.75
Rot. Bonds7

About 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine

2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine (PubChem CID 134448228) has the molecular formula C66H40N2 and a molecular weight of 861.06 g/mol. Its IUPAC name is 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine
PubChem CID134448228
Molecular FormulaC66H40N2
Molecular Weight861.06 g/mol
Exact Mass860.32
IUPAC Name2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cc5c6c(ccc(-c7ccc8c(c7)-c7cc(-c9ccc(-c%10ccccc%10-c%10ccccn%10)cc9)cc9cccc-8c79)c6c4)-c4ccccc4-5)cc3)cc2)nc1
InChIInChI=1S/C66H40N2/c1-4-14-56(64-17-6-8-35-68-64)51(11-1)45-26-22-43(23-27-45)49-36-48-10-9-15-57-55-31-30-47(37-59(55)62(38-49)65(48)57)52-32-33-58-53-12-2-3-13-54(53)61-40-50(39-60(52)66(58)61)44-20-18-41(19-21-44)42-24-28-46(29-25-42)63-16-5-7-34-67-63/h1-40H
InChIKeyJKYBSCGYZDUBMG-UHFFFAOYSA-N
XLogP17.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.06
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;2-(4-fluoranthen-2-ylphenyl)-5-phenylpyridine;4-[3-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;5-(4-fluoranthen-2-ylphenyl)-2-phenylpyridine
CID 158843363
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]naphthalen-1-yl]phenyl]pyridine
CID 167412782
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
2,9-diphenylfluoranthene
CID 174565991
4-(4-fluoranthen-2-ylphenyl)pyridine
CID 130295099
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 144605037
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
CID 58471026
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine (CID 134448228) is 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine is c1ccc(-c2ccc(-c3ccc(-c4cc5c6c(ccc(-c7ccc8c(c7)-c7cc(-c9ccc(-c%10ccccc%10-c%10ccccn%10)cc9)cc9cccc-8c79)c6c4)-c4ccccc4-5)cc3)cc2)nc1.
What is the InChIKey of 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine?
The InChIKey is JKYBSCGYZDUBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2/c1-4-14-56(64-17-6-8-35-68-64)51(11-1)45-26-22-43(23-27-45)49-36-48-10-9-15-57-55-31-30-47(37-59(55)62(38-49)65(48)57)52-32-33-58-53-12-2-3-13-54(53)61-40-50(39-60(52)66(58)61)44-20-18-41(19-21-44)42-24-28-46(29-25-42)63-16-5-7-34-67-63/h1-40H.
What are the key properties of 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine?
2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine has a molecular weight of 861.06 g/mol, XLogP of 17.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[9-[5-[4-(4-pyridin-2-ylphenyl)phenyl]fluoranthen-3-yl]fluoranthen-2-yl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134448228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).