2-phenyl-1,2,3,4-tetrahydrochrysene

C24H20 — CID 174844260

IUPAC2-phenyl-1,2,3,4-tetrahydrochrysene
SMILESc1ccc(C2CCc3c(ccc4c3ccc3ccccc34)C2)cc1
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/h1-10,12,14-15,19H,11,13,16H2
InChIKeyUEOVUYLQIVVJRM-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.27
Rot. Bonds1

About 2-phenyl-1,2,3,4-tetrahydrochrysene

2-phenyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174844260) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-phenyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name2-phenyl-1,2,3,4-tetrahydrochrysene
PubChem CID174844260
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name2-phenyl-1,2,3,4-tetrahydrochrysene
SMILESc1ccc(C2CCc3c(ccc4c3ccc3ccccc34)C2)cc1
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/h1-10,12,14-15,19H,11,13,16H2
InChIKeyUEOVUYLQIVVJRM-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)-1,2,3,4-tetrahydrochrysene
CID 174891211
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyrimidine
CID 174258210
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174836526
2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174535991
3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
CID 175278468
isoquinoline;2-methyl-4-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174462154
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
furan;2-methyl-1,2,3,4-tetrahydrochrysene
CID 174285203
4-(7-chloro-1,2,3,4-tetrahydrochrysen-2-yl)pyridine;isoquinoline
CID 174474696
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
2-(1,2,3,4-tetrahydrochrysen-3-yl)pyrimidine
CID 174362527
methane;1,2,3,4-tetrahydrochrysene
CID 174298676

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 2-phenyl-1,2,3,4-tetrahydrochrysene (CID 174844260) is 2-phenyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 2-phenyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 2-phenyl-1,2,3,4-tetrahydrochrysene is c1ccc(C2CCc3c(ccc4c3ccc3ccccc34)C2)cc1.
What is the InChIKey of 2-phenyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is UEOVUYLQIVVJRM-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/h1-10,12,14-15,19H,11,13,16H2.
What are the key properties of 2-phenyl-1,2,3,4-tetrahydrochrysene?
2-phenyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 308.42 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174844260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).