11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole

C22H17NS — CID 170896750

IUPAC11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole
SMILESCc1ccc(-n2c3c(c4ccccc42)CSc2ccccc2-3)cc1
InChIInChI=1S/C22H17NS/c1-15-10-12-16(13-11-15)23-20-8-4-2-6-17(20)19-14-24-21-9-5-3-7-18(21)22(19)23/h2-13H,14H2,1H3
InChIKeyGTHSOTAGPLWCLV-UHFFFAOYSA-N
MW327.45 g/mol
LogP6.21
Rot. Bonds1

About 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole

11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole (PubChem CID 170896750) has the molecular formula C22H17NS and a molecular weight of 327.45 g/mol. Its IUPAC name is 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole.

Molecular Properties

Compound Name11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole
PubChem CID170896750
Molecular FormulaC22H17NS
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC Name11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole
SMILESCc1ccc(-n2c3c(c4ccccc42)CSc2ccccc2-3)cc1
InChIInChI=1S/C22H17NS/c1-15-10-12-16(13-11-15)23-20-8-4-2-6-17(20)19-14-24-21-9-5-3-7-18(21)22(19)23/h2-13H,14H2,1H3
InChIKeyGTHSOTAGPLWCLV-UHFFFAOYSA-N
XLogP6.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

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Related Compounds

9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 177491803
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 122425211
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
2-[9-(4-methylphenyl)carbazol-2-yl]phenol
CID 118682159
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole
CID 144595919
12-(4-methylphenyl)-7H-indeno[1,2-a]carbazole
CID 159826504
3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
CID 174182442
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318

Frequently Asked Questions

What is the IUPAC name of 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole?
The IUPAC name of 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole (CID 170896750) is 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole.
What is the SMILES notation for 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole?
The canonical SMILES for 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole is Cc1ccc(-n2c3c(c4ccccc42)CSc2ccccc2-3)cc1.
What is the InChIKey of 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole?
The InChIKey is GTHSOTAGPLWCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NS/c1-15-10-12-16(13-11-15)23-20-8-4-2-6-17(20)19-14-24-21-9-5-3-7-18(21)22(19)23/h2-13H,14H2,1H3.
What are the key properties of 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole?
11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole has a molecular weight of 327.45 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylphenyl)-6H-thiochromeno[4,3-b]indole is sourced from PubChem (CID 170896750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).