4-benzhydrylidene-2,6-diphenylthiopyran

C30H22S — CID 13110816

IUPAC4-benzhydrylidene-2,6-diphenylthiopyran
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22S/c1-5-13-23(14-6-1)28-21-27(22-29(31-28)24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyOMMGJDOTJWOLBY-UHFFFAOYSA-N
MW414.57 g/mol
LogP8.32
Rot. Bonds4

About 4-benzhydrylidene-2,6-diphenylthiopyran

4-benzhydrylidene-2,6-diphenylthiopyran (PubChem CID 13110816) has the molecular formula C30H22S and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-benzhydrylidene-2,6-diphenylthiopyran.

Molecular Properties

Compound Name4-benzhydrylidene-2,6-diphenylthiopyran
PubChem CID13110816
Molecular FormulaC30H22S
Molecular Weight414.57 g/mol
Exact Mass414.14
IUPAC Name4-benzhydrylidene-2,6-diphenylthiopyran
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22S/c1-5-13-23(14-6-1)28-21-27(22-29(31-28)24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChIKeyOMMGJDOTJWOLBY-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(2,6-diphenylthiopyran-4-ylidene)-phenylmethyl]-2,6-diphenylthiopyran-1-yl] perchlorate
CID 134911046
(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
CID 22327814
2-[1-(2,6-diphenylthiopyran-4-ylidene)ethyl]-3,4-dihydroxycyclobutan-1-one
CID 142364034
4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene
CID 117069727
2,6-bis[4-(4-phenylphenyl)phenyl]-1,4-dithiine
CID 58816776
1,5-dibenzhydrylidenepentalene
CID 101439487
4-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]-2,6-dimethylphenolate
CID 102505882
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531
4-[[5-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-phenylphenyl)methyl]furan-2-yl]-(4-phenylphenyl)methylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20823566
4-[(4E)-4-[1,3-benzothiazol-2-yl(cyano)methylidene]-6-phenylthiopyran-2-yl]benzoic acid
CID 143123904
4-[(2E,4E,6E,8E,10E)-12-(2,6-diphenylthiopyran-4-ylidene)-6,7-dimethoxydodeca-2,4,6,8,10-pentaenylidene]-2,6-diphenylthiopyran
CID 102318746
1,1'-biphenyl;molecular hydrogen
CID 173033571

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-2,6-diphenylthiopyran?
The IUPAC name of 4-benzhydrylidene-2,6-diphenylthiopyran (CID 13110816) is 4-benzhydrylidene-2,6-diphenylthiopyran.
What is the SMILES notation for 4-benzhydrylidene-2,6-diphenylthiopyran?
The canonical SMILES for 4-benzhydrylidene-2,6-diphenylthiopyran is C1=C(c2ccccc2)SC(c2ccccc2)=CC1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydrylidene-2,6-diphenylthiopyran?
The InChIKey is OMMGJDOTJWOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22S/c1-5-13-23(14-6-1)28-21-27(22-29(31-28)24-15-7-2-8-16-24)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H.
What are the key properties of 4-benzhydrylidene-2,6-diphenylthiopyran?
4-benzhydrylidene-2,6-diphenylthiopyran has a molecular weight of 414.57 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-2,6-diphenylthiopyran is sourced from PubChem (CID 13110816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).