3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole

C34H21NS — CID 134301047

IUPAC3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole
SMILESC1=CC(c2ccc3sc4cc5c6c(cccc6c4c3c2)-c2ccccc2-5)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C34H21NS/c1-2-7-22-21(6-1)24-9-5-10-25-33(24)27(22)18-32-34(25)28-17-20(13-15-31(28)36-32)19-12-14-30-26(16-19)23-8-3-4-11-29(23)35-30/h1-15,17-19,35H,16H2
InChIKeyJHYNHDOZRRVZTG-UHFFFAOYSA-N
MW475.62 g/mol
LogP9.69
Rot. Bonds1

About 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole

3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole (PubChem CID 134301047) has the molecular formula C34H21NS and a molecular weight of 475.62 g/mol. Its IUPAC name is 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole.

Molecular Properties

Compound Name3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole
PubChem CID134301047
Molecular FormulaC34H21NS
Molecular Weight475.62 g/mol
Exact Mass475.14
IUPAC Name3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole
SMILESC1=CC(c2ccc3sc4cc5c6c(cccc6c4c3c2)-c2ccccc2-5)Cc2c1[nH]c1ccccc21
InChIInChI=1S/C34H21NS/c1-2-7-22-21(6-1)24-9-5-10-25-33(24)27(22)18-32-34(25)28-17-20(13-15-31(28)36-32)19-12-14-30-26(16-19)23-8-3-4-11-29(23)35-30/h1-15,17-19,35H,16H2
InChIKeyJHYNHDOZRRVZTG-UHFFFAOYSA-N
XLogP9.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 59.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3-dibenzothiophen-3-ylphenyl)-10,11-dihydro-7H-benzo[c]carbazole
CID 146778785
3-bromo-4,9-dihydro-3H-carbazole
CID 66807686
10a,11-dihydro-5H-benzo[b]carbazole
CID 137386521
2-phenyl-4-(4-phenylnaphthalen-2-yl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-1,4-dihydro-1,3,5-triazine
CID 163527137
9-[4-[3-(9-thiapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
CID 129272471
2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-6-yl)-1,3,5-triazine
CID 166846572
9-[3-(4-phenylphenyl)phenyl]-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301089
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301090
2,5-dihydro-1H-pyrido[4,3-b]indole
CID 68923227
9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole;ethene
CID 142293102
2-phenyl-4-(4-phenylphenyl)-6-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-7-yl)-1,3,5-triazine
CID 166846728
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531

Frequently Asked Questions

What is the IUPAC name of 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole?
The IUPAC name of 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole (CID 134301047) is 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole.
What is the SMILES notation for 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole?
The canonical SMILES for 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole is C1=CC(c2ccc3sc4cc5c6c(cccc6c4c3c2)-c2ccccc2-5)Cc2c1[nH]c1ccccc21.
What is the InChIKey of 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole?
The InChIKey is JHYNHDOZRRVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS/c1-2-7-22-21(6-1)24-9-5-10-25-33(24)27(22)18-32-34(25)28-17-20(13-15-31(28)36-32)19-12-14-30-26(16-19)23-8-3-4-11-29(23)35-30/h1-15,17-19,35H,16H2.
What are the key properties of 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole?
3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole has a molecular weight of 475.62 g/mol, XLogP of 9.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-4,9-dihydro-3H-carbazole is sourced from PubChem (CID 134301047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).