8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene

C25H20OS — CID 101081523

IUPAC8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene
SMILESCc1sc2ccc3c(c2c1C)OC(c1ccccc1)(c1ccccc1)C=C3
InChIInChI=1S/C25H20OS/c1-17-18(2)27-22-14-13-19-15-16-25(26-24(19)23(17)22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,1-2H3
InChIKeyFBXDPDITYFGZOE-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.87
Rot. Bonds2

About 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene

8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene (PubChem CID 101081523) has the molecular formula C25H20OS and a molecular weight of 368.50 g/mol. Its IUPAC name is 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene.

Molecular Properties

Compound Name8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene
PubChem CID101081523
Molecular FormulaC25H20OS
Molecular Weight368.50 g/mol
Exact Mass368.12
IUPAC Name8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene
SMILESCc1sc2ccc3c(c2c1C)OC(c1ccccc1)(c1ccccc1)C=C3
InChIInChI=1S/C25H20OS/c1-17-18(2)27-22-14-13-19-15-16-25(26-24(19)23(17)22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,1-2H3
InChIKeyFBXDPDITYFGZOE-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene
CID 101081527
6-bromo-7,8-dimethyl-2,2-diphenylchromene
CID 24764092
19,19-diphenyl-20-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17-nonaene
CID 170219409
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
(2,2-diphenylbenzo[h]chromen-6-yl)methanol
CID 132567770
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
3,3-diphenyl-[1]benzothiolo[2,3-f]chromene
CID 101162199
ethane;5-methyl-6-[(4-methylphenyl)methyl]-3,3-diphenylbenzo[f]chromene
CID 123566536
13,13-diphenyl-12-oxa-3-thiahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1,4,6,8,10,14,16,20,22,24-decaene
CID 22955594
methyl 11-methyl-3,3-diphenylnaphtho[1,2-h]chromene-12-carboxylate
CID 22412475
2,3,4-trimethyl-1-benzothiophene-5-carboxylic acid
CID 57092162
4-N-(2,2-diphenylchromen-6-yl)benzene-1,4-diamine
CID 102077226

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene?
The IUPAC name of 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene (CID 101081523) is 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene.
What is the SMILES notation for 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene?
The canonical SMILES for 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene is Cc1sc2ccc3c(c2c1C)OC(c1ccccc1)(c1ccccc1)C=C3.
What is the InChIKey of 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene?
The InChIKey is FBXDPDITYFGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20OS/c1-17-18(2)27-22-14-13-19-15-16-25(26-24(19)23(17)22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,1-2H3.
What are the key properties of 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene?
8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene has a molecular weight of 368.50 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene is sourced from PubChem (CID 101081523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).