1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene

C25H20OS — CID 101081527

IUPAC1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene
SMILESCc1sc2ccc3c(c2c1C)C=CC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C25H20OS/c1-17-18(2)27-23-14-13-22-21(24(17)23)15-16-25(26-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyMEJDBIHAWRTYBE-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.87
Rot. Bonds2

About 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene

1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene (PubChem CID 101081527) has the molecular formula C25H20OS and a molecular weight of 368.50 g/mol. Its IUPAC name is 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene.

Molecular Properties

Compound Name1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene
PubChem CID101081527
Molecular FormulaC25H20OS
Molecular Weight368.50 g/mol
Exact Mass368.12
IUPAC Name1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene
SMILESCc1sc2ccc3c(c2c1C)C=CC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C25H20OS/c1-17-18(2)27-23-14-13-22-21(24(17)23)15-16-25(26-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3
InChIKeyMEJDBIHAWRTYBE-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

8,9-dimethyl-2,2-diphenylthieno[2,3-h]chromene
CID 101081523
18-[4-(dimethylamino)phenyl]-N,N-dimethyl-18-phenyl-19-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15(20),16,21-decaen-10-amine
CID 170543867
4-[3-[4-(dimethylamino)phenyl]-[1]benzofuro[3,2-f]chromen-3-yl]-N,N-dimethylaniline
CID 54105324
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
6-bromo-7,8-dimethyl-2,2-diphenylchromene
CID 24764092
8-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(3,3-diphenylbenzo[f]chromen-8-yl)ethyl]-3,3-diphenylbenzo[f]chromene
CID 101369749
4-N-(2,2-diphenylchromen-6-yl)benzene-1,4-diamine
CID 102077226
3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181950
3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181948
ethane;5-methyl-6-[(4-methylphenyl)methyl]-3,3-diphenylbenzo[f]chromene
CID 123566536

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene?
The IUPAC name of 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene (CID 101081527) is 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene.
What is the SMILES notation for 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene?
The canonical SMILES for 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene is Cc1sc2ccc3c(c2c1C)C=CC(c1ccccc1)(c1ccccc1)O3.
What is the InChIKey of 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene?
The InChIKey is MEJDBIHAWRTYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20OS/c1-17-18(2)27-23-14-13-22-21(24(17)23)15-16-25(26-22,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3.
What are the key properties of 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene?
1,2-dimethyl-7,7-diphenylthieno[3,2-f]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 1,2-dimethyl-7,7-diphenylthieno[3,2-f]chromene is sourced from PubChem (CID 101081527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).