2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine

C29H19N — CID 138968741

IUPAC2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccccc1-c1ccccn1
InChIInChI=1S/C29H19N/c1-2-9-25(27-10-3-4-19-30-27)20(6-1)11-12-21-13-14-24-16-15-22-7-5-8-23-17-18-26(21)29(24)28(22)23/h1-19H/b12-11+
InChIKeyDIHDDSCEYUGQAL-VAWYXSNFSA-N
MW381.48 g/mol
LogP7.82
Rot. Bonds3

About 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine

2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine (PubChem CID 138968741) has the molecular formula C29H19N and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
PubChem CID138968741
Molecular FormulaC29H19N
Molecular Weight381.48 g/mol
Exact Mass381.15
IUPAC Name2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine
SMILESC(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccccc1-c1ccccn1
InChIInChI=1S/C29H19N/c1-2-9-25(27-10-3-4-19-30-27)20(6-1)11-12-21-13-14-24-16-15-22-7-5-8-23-17-18-26(21)29(24)28(22)23/h1-19H/b12-11+
InChIKeyDIHDDSCEYUGQAL-VAWYXSNFSA-N
XLogP7.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-hexahelicen-1-ylpyridine
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1-[2-(2-chlorophenyl)ethenyl]pyrene
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2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
2-[2-(2-phenylethenyl)phenyl]pyridine
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1-[(E)-2-anthracen-9-ylethenyl]pyrene
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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
3-[(E)-2-pyren-1-ylethenyl]pyridine
CID 176966606
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
2-(7-ethenyl-6-methylidenephenalen-1-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine?
The IUPAC name of 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine (CID 138968741) is 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine?
The canonical SMILES for 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine is C(=C/c1ccc2ccc3cccc4ccc1c2c34)\c1ccccc1-c1ccccn1.
What is the InChIKey of 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine?
The InChIKey is DIHDDSCEYUGQAL-VAWYXSNFSA-N. The full InChI is InChI=1S/C29H19N/c1-2-9-25(27-10-3-4-19-30-27)20(6-1)11-12-21-13-14-24-16-15-22-7-5-8-23-17-18-26(21)29(24)28(22)23/h1-19H/b12-11+.
What are the key properties of 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine?
2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine has a molecular weight of 381.48 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-pyren-1-ylethenyl]phenyl]pyridine is sourced from PubChem (CID 138968741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).