1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole

C22H19N — CID 174854598

IUPAC1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole
SMILESC1=CC2=C(CC1)CCc1c2ccc2c(-n3cccc3)cccc12
InChIInChI=1S/C22H19N/c1-2-7-17-16(6-1)10-11-20-18-8-5-9-22(23-14-3-4-15-23)21(18)13-12-19(17)20/h2-5,7-9,12-15H,1,6,10-11H2
InChIKeyQAHFWQVQARDQJV-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.68
Rot. Bonds1

About 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole

1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole (PubChem CID 174854598) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole
PubChem CID174854598
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole
SMILESC1=CC2=C(CC1)CCc1c2ccc2c(-n3cccc3)cccc12
InChIInChI=1S/C22H19N/c1-2-7-17-16(6-1)10-11-20-18-8-5-9-22(23-14-3-4-15-23)21(18)13-12-19(17)20/h2-5,7-9,12-15H,1,6,10-11H2
InChIKeyQAHFWQVQARDQJV-UHFFFAOYSA-N
XLogP5.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435742
7-(2-methoxyethyl)-1,2,11,12-tetrahydrochrysene
CID 174755759
2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
7-butyl-1,2,11,12-tetrahydrochrysene;1,3-thiazole
CID 174538682
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
benzo[e]benzimidazol-2-one;7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435741
5,6,7,8-tetrahydrochrysen-1-yl benzo[f][1]benzothiole-2-carboxylate
CID 175309992
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
7,8-dimethyl-1,2,11,12-tetrahydrochrysene;quinazoline-2,4-diamine
CID 174573297
1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
CID 174408261

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole?
The IUPAC name of 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole (CID 174854598) is 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole.
What is the SMILES notation for 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole?
The canonical SMILES for 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole is C1=CC2=C(CC1)CCc1c2ccc2c(-n3cccc3)cccc12.
What is the InChIKey of 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole?
The InChIKey is QAHFWQVQARDQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-2-7-17-16(6-1)10-11-20-18-8-5-9-22(23-14-3-4-15-23)21(18)13-12-19(17)20/h2-5,7-9,12-15H,1,6,10-11H2.
What are the key properties of 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole?
1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole has a molecular weight of 297.40 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole is sourced from PubChem (CID 174854598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).