2-phenyl-1,2,11,12-tetrahydrochrysene

C24H20 — CID 174269120

IUPAC2-phenyl-1,2,11,12-tetrahydrochrysene
SMILESC1=CC(c2ccccc2)CC2=C1c1ccc3ccccc3c1CC2
InChIInChI=1S/C24H20/c1-2-6-17(7-3-1)19-11-13-22-20(16-19)12-15-23-21-9-5-4-8-18(21)10-14-24(22)23/h1-11,13-14,19H,12,15-16H2
InChIKeyNLBDNSFVQMVBCJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.28
Rot. Bonds1

About 2-phenyl-1,2,11,12-tetrahydrochrysene

2-phenyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174269120) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-phenyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name2-phenyl-1,2,11,12-tetrahydrochrysene
PubChem CID174269120
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name2-phenyl-1,2,11,12-tetrahydrochrysene
SMILESC1=CC(c2ccccc2)CC2=C1c1ccc3ccccc3c1CC2
InChIInChI=1S/C24H20/c1-2-6-17(7-3-1)19-11-13-22-20(16-19)12-15-23-21-9-5-4-8-18(21)10-14-24(22)23/h1-11,13-14,19H,12,15-16H2
InChIKeyNLBDNSFVQMVBCJ-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 2-phenyl-1,2,11,12-tetrahydrochrysene (CID 174269120) is 2-phenyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 2-phenyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 2-phenyl-1,2,11,12-tetrahydrochrysene is C1=CC(c2ccccc2)CC2=C1c1ccc3ccccc3c1CC2.
What is the InChIKey of 2-phenyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is NLBDNSFVQMVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-2-6-17(7-3-1)19-11-13-22-20(16-19)12-15-23-21-9-5-4-8-18(21)10-14-24(22)23/h1-11,13-14,19H,12,15-16H2.
What are the key properties of 2-phenyl-1,2,11,12-tetrahydrochrysene?
2-phenyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 308.42 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174269120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).