5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole

C24H17NS — CID 123696000

IUPAC5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C24H17NS/c1-2-8-16(9-3-1)25-20-12-6-4-11-19(20)23-21(25)15-14-18-17-10-5-7-13-22(17)26-24(18)23/h1-6,8-12,14-15H,7,13H2
InChIKeyGSMVWAWAAJSCMN-UHFFFAOYSA-N
MW351.47 g/mol
LogP6.96
Rot. Bonds1

About 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole

5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole (PubChem CID 123696000) has the molecular formula C24H17NS and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
PubChem CID123696000
Molecular FormulaC24H17NS
Molecular Weight351.47 g/mol
Exact Mass351.11
IUPAC Name5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C24H17NS/c1-2-8-16(9-3-1)25-20-12-6-4-11-19(20)23-21(25)15-14-18-17-10-5-7-13-22(17)26-24(18)23/h1-6,8-12,14-15H,7,13H2
InChIKeyGSMVWAWAAJSCMN-UHFFFAOYSA-N
XLogP6.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 144884862
3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
CID 163478286
7-(6,7-dihydrodibenzothiophen-2-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163755377
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 118391181
6,24-bis(9-phenylcarbazol-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736429
4-dibenzothiophen-1-yl-9-[3-[4-(6,7-dihydrodibenzothiophen-1-yl)carbazol-9-yl]phenyl]carbazole
CID 163518743
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-4-phenyl-6,7-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 123844288
5-(4-cyclohexa-1,2,3,5-tetraen-1-ylphenyl)-3,4,10,11-tetrahydro-[1]benzothiolo[3,2-c]carbazole
CID 134390926
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 170203697
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole (CID 123696000) is 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole is C1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is GSMVWAWAAJSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NS/c1-2-8-16(9-3-1)25-20-12-6-4-11-19(20)23-21(25)15-14-18-17-10-5-7-13-22(17)26-24(18)23/h1-6,8-12,14-15H,7,13H2.
What are the key properties of 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 351.47 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 123696000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).