2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine

C51H31N — CID 89347361

IUPAC2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)c3ccc4c(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)c5ccc2c3c54)nc1
InChIInChI=1S/C51H31N/c1-4-18-35-32(12-1)15-9-21-38(35)45-30-46(39-22-10-16-33-13-2-5-19-36(33)39)42-27-28-44-48(49-24-7-8-29-52-49)31-47(43-26-25-41(45)50(42)51(43)44)40-23-11-17-34-14-3-6-20-37(34)40/h1-31H
InChIKeyJDGKEPFRTGMSEV-UHFFFAOYSA-N
MW657.82 g/mol
LogP14.11
Rot. Bonds4

About 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine

2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine (PubChem CID 89347361) has the molecular formula C51H31N and a molecular weight of 657.82 g/mol. Its IUPAC name is 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine.

Molecular Properties

Compound Name2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
PubChem CID89347361
Molecular FormulaC51H31N
Molecular Weight657.82 g/mol
Exact Mass657.25
IUPAC Name2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)c3ccc4c(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)c5ccc2c3c54)nc1
InChIInChI=1S/C51H31N/c1-4-18-35-32(12-1)15-9-21-38(35)45-30-46(39-22-10-16-33-13-2-5-19-36(33)39)42-27-28-44-48(49-24-7-8-29-52-49)31-47(43-26-25-41(45)50(42)51(43)44)40-23-11-17-34-14-3-6-20-37(34)40/h1-31H
InChIKeyJDGKEPFRTGMSEV-UHFFFAOYSA-N
XLogP14.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylpyridine;quinoxaline
CID 174357892
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
2-hexahelicen-1-ylpyridine
CID 146019951
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
2-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 118313976
2-[7-tert-butyl-3-(2-phenylphenyl)pyren-1-yl]pyridine
CID 58028956
12-(2,6-dipyridin-2-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145009975
2,7-diphenylbenzo[e]pyrene;1,3,6,8-tetraphenylpyrene;2-(3,6,8-tripyridin-2-ylpyren-1-yl)pyridine
CID 158692586
2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 70958773
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806

Frequently Asked Questions

What is the IUPAC name of 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine?
The IUPAC name of 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine (CID 89347361) is 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine.
What is the SMILES notation for 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine?
The canonical SMILES for 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine is c1ccc(-c2cc(-c3cccc4ccccc34)c3ccc4c(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)c5ccc2c3c54)nc1.
What is the InChIKey of 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine?
The InChIKey is JDGKEPFRTGMSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N/c1-4-18-35-32(12-1)15-9-21-38(35)45-30-46(39-22-10-16-33-13-2-5-19-36(33)39)42-27-28-44-48(49-24-7-8-29-52-49)31-47(43-26-25-41(45)50(42)51(43)44)40-23-11-17-34-14-3-6-20-37(34)40/h1-31H.
What are the key properties of 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine?
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine has a molecular weight of 657.82 g/mol, XLogP of 14.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine is sourced from PubChem (CID 89347361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).