1-benzyl-1,2,3,6-tetrahydrochrysene

C25H22 — CID 174632975

IUPAC1-benzyl-1,2,3,6-tetrahydrochrysene
SMILESC1=c2c(ccc3c2=CCCC3Cc2ccccc2)-c2ccccc2C1
InChIInChI=1S/C25H22/c1-2-7-18(8-3-1)17-20-10-6-12-23-22(20)15-16-24-21-11-5-4-9-19(21)13-14-25(23)24/h1-5,7-9,11-12,14-16,20H,6,10,13,17H2
InChIKeyQNJYQONRDZOQSG-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.59
Rot. Bonds2

About 1-benzyl-1,2,3,6-tetrahydrochrysene

1-benzyl-1,2,3,6-tetrahydrochrysene (PubChem CID 174632975) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-benzyl-1,2,3,6-tetrahydrochrysene.

Molecular Properties

Compound Name1-benzyl-1,2,3,6-tetrahydrochrysene
PubChem CID174632975
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name1-benzyl-1,2,3,6-tetrahydrochrysene
SMILESC1=c2c(ccc3c2=CCCC3Cc2ccccc2)-c2ccccc2C1
InChIInChI=1S/C25H22/c1-2-7-18(8-3-1)17-20-10-6-12-23-22(20)15-16-24-21-11-5-4-9-19(21)13-14-25(23)24/h1-5,7-9,11-12,14-16,20H,6,10,13,17H2
InChIKeyQNJYQONRDZOQSG-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
CID 175248018
1,2,3,6-tetrahydrochrysen-1-yl benzoate
CID 174455552
4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine
CID 174397832
1-benzyl-4-(4-methylphenyl)-1,2,3,6-tetrahydrochrysene;pyridine
CID 174583345
(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
CID 174525414
1,2,3,6-tetrahydrochrysene
CID 174255950
1-benzyl-4-[2-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydrochrysene;pyridine
CID 174548492
2-(3-benzyl-1,2,3,6-tetrahydrochrysen-1-yl)-1H-azepine
CID 174511557
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
CID 174819544
1,1-dimethyl-3,6-dihydro-2H-chrysene
CID 174508199
2-(benzylamino)-1-(1,2,3,6-tetrahydrochrysen-3-yl)ethanone
CID 175248092

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,2,3,6-tetrahydrochrysene?
The IUPAC name of 1-benzyl-1,2,3,6-tetrahydrochrysene (CID 174632975) is 1-benzyl-1,2,3,6-tetrahydrochrysene.
What is the SMILES notation for 1-benzyl-1,2,3,6-tetrahydrochrysene?
The canonical SMILES for 1-benzyl-1,2,3,6-tetrahydrochrysene is C1=c2c(ccc3c2=CCCC3Cc2ccccc2)-c2ccccc2C1.
What is the InChIKey of 1-benzyl-1,2,3,6-tetrahydrochrysene?
The InChIKey is QNJYQONRDZOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-2-7-18(8-3-1)17-20-10-6-12-23-22(20)15-16-24-21-11-5-4-9-19(21)13-14-25(23)24/h1-5,7-9,11-12,14-16,20H,6,10,13,17H2.
What are the key properties of 1-benzyl-1,2,3,6-tetrahydrochrysene?
1-benzyl-1,2,3,6-tetrahydrochrysene has a molecular weight of 322.45 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,2,3,6-tetrahydrochrysene is sourced from PubChem (CID 174632975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).