benzhydrylbenzene;2H-chromene

C28H24O — CID 67134856

IUPACbenzhydrylbenzene;2H-chromene
SMILESC1=Cc2ccccc2OC1.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.C9H8O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-9-8(4-1)5-3-7-10-9/h1-15,19H;1-6H,7H2
InChIKeyCAIMTVCHYCTBOA-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.96
Rot. Bonds3

About benzhydrylbenzene;2H-chromene

benzhydrylbenzene;2H-chromene (PubChem CID 67134856) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is benzhydrylbenzene;2H-chromene.

Molecular Properties

Compound Namebenzhydrylbenzene;2H-chromene
PubChem CID67134856
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Namebenzhydrylbenzene;2H-chromene
SMILESC1=Cc2ccccc2OC1.c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H16.C9H8O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-9-8(4-1)5-3-7-10-9/h1-15,19H;1-6H,7H2
InChIKeyCAIMTVCHYCTBOA-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzhydrylbenzene;2H-chromene?
The IUPAC name of benzhydrylbenzene;2H-chromene (CID 67134856) is benzhydrylbenzene;2H-chromene.
What is the SMILES notation for benzhydrylbenzene;2H-chromene?
The canonical SMILES for benzhydrylbenzene;2H-chromene is C1=Cc2ccccc2OC1.c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzhydrylbenzene;2H-chromene?
The InChIKey is CAIMTVCHYCTBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C9H8O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-9-8(4-1)5-3-7-10-9/h1-15,19H;1-6H,7H2.
What are the key properties of benzhydrylbenzene;2H-chromene?
benzhydrylbenzene;2H-chromene has a molecular weight of 376.50 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylbenzene;2H-chromene is sourced from PubChem (CID 67134856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).