2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine

C29H24N2O — CID 174519068

IUPAC2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine
SMILESC1=c2ccc3c(c2CCC1)CC=c1c(-c2cnccn2)cc(OCc2ccccc2)cc1=3
InChIInChI=1S/C29H24N2O/c1-2-6-20(7-3-1)19-32-22-16-27-25-11-10-21-8-4-5-9-23(21)24(25)12-13-26(27)28(17-22)29-18-30-14-15-31-29/h1-3,6-8,10-11,13-18H,4-5,9,12,19H2
InChIKeyUWJRTKWXKCKWLU-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.46
Rot. Bonds4

About 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine

2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine (PubChem CID 174519068) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine.

Molecular Properties

Compound Name2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine
PubChem CID174519068
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine
SMILESC1=c2ccc3c(c2CCC1)CC=c1c(-c2cnccn2)cc(OCc2ccccc2)cc1=3
InChIInChI=1S/C29H24N2O/c1-2-6-20(7-3-1)19-32-22-16-27-25-11-10-21-8-4-5-9-23(21)24(25)12-13-26(27)28(17-22)29-18-30-14-15-31-29/h1-3,6-8,10-11,13-18H,4-5,9,12,19H2
InChIKeyUWJRTKWXKCKWLU-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine?
The IUPAC name of 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine (CID 174519068) is 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine.
What is the SMILES notation for 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine?
The canonical SMILES for 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine is C1=c2ccc3c(c2CCC1)CC=c1c(-c2cnccn2)cc(OCc2ccccc2)cc1=3.
What is the InChIKey of 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine?
The InChIKey is UWJRTKWXKCKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c1-2-6-20(7-3-1)19-32-22-16-27-25-11-10-21-8-4-5-9-23(21)24(25)12-13-26(27)28(17-22)29-18-30-14-15-31-29/h1-3,6-8,10-11,13-18H,4-5,9,12,19H2.
What are the key properties of 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine?
2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine has a molecular weight of 416.52 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxy-8,9,10,11-tetrahydrochrysen-1-yl)pyrazine is sourced from PubChem (CID 174519068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).