1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole

C22H19N — CID 174925203

IUPAC1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole
SMILESC1=c2c(ccc3c2=C(n2cccc2)CCC3)-c2ccccc2C1
InChIInChI=1S/C22H19N/c1-2-8-18-16(6-1)10-13-20-19(18)12-11-17-7-5-9-21(22(17)20)23-14-3-4-15-23/h1-4,6,8,11-15H,5,7,9-10H2
InChIKeyPIYAJVSVTBYNBZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.48
Rot. Bonds1

About 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole

1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole (PubChem CID 174925203) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole.

Molecular Properties

Compound Name1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole
PubChem CID174925203
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole
SMILESC1=c2c(ccc3c2=C(n2cccc2)CCC3)-c2ccccc2C1
InChIInChI=1S/C22H19N/c1-2-8-18-16(6-1)10-13-20-19(18)12-11-17-7-5-9-21(22(17)20)23-14-3-4-15-23/h1-4,6,8,11-15H,5,7,9-10H2
InChIKeyPIYAJVSVTBYNBZ-UHFFFAOYSA-N
XLogP3.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,6-tetrahydrochrysene
CID 174255950
4-(4-chlorophenyl)-1,2,3,6-tetrahydrochrysene;pyridine;hydrochloride
CID 174476461
1,6-dihydrochrysene
CID 141333626
benzoyl benzoate;1,2,3,6-tetrahydrochrysene
CID 174591475
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
CID 174819544
2,3-dihydro-1H-indene;methane
CID 158581717
1,1-dimethyl-3,6-dihydro-2H-chrysene
CID 174508199
1,2-bis(prop-2-enyl)-3,6-dihydrochrysene
CID 175323139
1-benzyl-1,2,3,6-tetrahydrochrysene
CID 174632975
9,10-dihydrophenanthrene;methane
CID 174728506
phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511724
6H-cyclopenta[a]phenanthrene-16-carbonitrile
CID 141101458

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole?
The IUPAC name of 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole (CID 174925203) is 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole.
What is the SMILES notation for 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole?
The canonical SMILES for 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole is C1=c2c(ccc3c2=C(n2cccc2)CCC3)-c2ccccc2C1.
What is the InChIKey of 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole?
The InChIKey is PIYAJVSVTBYNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-2-8-18-16(6-1)10-13-20-19(18)12-11-17-7-5-9-21(22(17)20)23-14-3-4-15-23/h1-4,6,8,11-15H,5,7,9-10H2.
What are the key properties of 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole?
1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole has a molecular weight of 297.40 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,6-tetrahydrochrysen-4-yl)pyrrole is sourced from PubChem (CID 174925203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).