2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride

C29H24ClN — CID 175234343

IUPAC2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride
SMILESC1=C(c2ccccc2-c2ccccn2)c2c(ccc3c2CCc2ccccc2-3)CC1.Cl
InChIInChI=1S/C29H23N.ClH/c1-2-10-22-20(8-1)15-18-27-24(22)17-16-21-9-7-13-26(29(21)27)23-11-3-4-12-25(23)28-14-5-6-19-30-28;/h1-6,8,10-14,16-17,19H,7,9,15,18H2;1H
InChIKeyXBHDTTYGOJHIAJ-UHFFFAOYSA-N
MW421.97 g/mol
LogP7.31
Rot. Bonds2

About 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride

2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride (PubChem CID 175234343) has the molecular formula C29H24ClN and a molecular weight of 421.97 g/mol. Its IUPAC name is 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride
PubChem CID175234343
Molecular FormulaC29H24ClN
Molecular Weight421.97 g/mol
Exact Mass421.16
IUPAC Name2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride
SMILESC1=C(c2ccccc2-c2ccccn2)c2c(ccc3c2CCc2ccccc2-3)CC1.Cl
InChIInChI=1S/C29H23N.ClH/c1-2-10-22-20(8-1)15-18-27-24(22)17-16-21-9-7-13-26(29(21)27)23-11-3-4-12-25(23)28-14-5-6-19-30-28;/h1-6,8,10-14,16-17,19H,7,9,15,18H2;1H
InChIKeyXBHDTTYGOJHIAJ-UHFFFAOYSA-N
XLogP7.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride?
The IUPAC name of 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride (CID 175234343) is 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride is C1=C(c2ccccc2-c2ccccn2)c2c(ccc3c2CCc2ccccc2-3)CC1.Cl.
What is the InChIKey of 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride?
The InChIKey is XBHDTTYGOJHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N.ClH/c1-2-10-22-20(8-1)15-18-27-24(22)17-16-21-9-7-13-26(29(21)27)23-11-3-4-12-25(23)28-14-5-6-19-30-28;/h1-6,8,10-14,16-17,19H,7,9,15,18H2;1H.
What are the key properties of 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride?
2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,5,6-tetrahydrochrysen-4-yl)phenyl]pyridine;hydrochloride is sourced from PubChem (CID 175234343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).