8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene

C41H28S2 — CID 118081185

IUPAC8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c2Sc2ccccc2S1
InChIInChI=1S/C41H28S2/c1-41(2)32-22-23-36-40(43-35-19-11-10-18-34(35)42-36)39(32)31-21-20-26(24-33(31)41)38-29-16-8-6-14-27(29)37(25-12-4-3-5-13-25)28-15-7-9-17-30(28)38/h3-24H,1-2H3
InChIKeyMIUGSIFBRPHKJP-UHFFFAOYSA-N
MW584.81 g/mol
LogP12.25
Rot. Bonds2

About 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene

8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene (PubChem CID 118081185) has the molecular formula C41H28S2 and a molecular weight of 584.81 g/mol. Its IUPAC name is 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene.

Molecular Properties

Compound Name8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene
PubChem CID118081185
Molecular FormulaC41H28S2
Molecular Weight584.81 g/mol
Exact Mass584.16
IUPAC Name8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c2Sc2ccccc2S1
InChIInChI=1S/C41H28S2/c1-41(2)32-22-23-36-40(43-35-19-11-10-18-34(35)42-36)39(32)31-21-20-26(24-33(31)41)38-29-16-8-6-14-27(29)37(25-12-4-3-5-13-25)28-15-7-9-17-30(28)38/h3-24H,1-2H3
InChIKeyMIUGSIFBRPHKJP-UHFFFAOYSA-N
XLogP12.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
8,8-dimethyl-10-phenanthren-9-yl-5,5-diphenylindeno[2,1-c]thioxanthene
CID 118081206
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
[9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane
CID 122381660
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
17,17-dimethyl-20-[10-(4-phenylphenyl)anthracen-9-yl]-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene
CID 130212092

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene?
The IUPAC name of 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene (CID 118081185) is 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene.
What is the SMILES notation for 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene?
The canonical SMILES for 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c2Sc2ccccc2S1.
What is the InChIKey of 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene?
The InChIKey is MIUGSIFBRPHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28S2/c1-41(2)32-22-23-36-40(43-35-19-11-10-18-34(35)42-36)39(32)31-21-20-26(24-33(31)41)38-29-16-8-6-14-27(29)37(25-12-4-3-5-13-25)28-15-7-9-17-30(28)38/h3-24H,1-2H3.
What are the key properties of 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene?
8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene has a molecular weight of 584.81 g/mol, XLogP of 12.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene is sourced from PubChem (CID 118081185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).