2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole

C36H21NS2 — CID 163575771

IUPAC2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6cc7sc8ccccc8c7cc6c5c4)cc32)cc1
InChIInChI=1S/C36H21NS2/c1-2-8-24(9-3-1)37-31-12-6-4-10-25(31)26-16-14-23(19-32(26)37)22-15-17-34-28(18-22)30-20-29-27-11-5-7-13-33(27)38-35(29)21-36(30)39-34/h1-21H
InChIKeyGDIHUNOVGCVQON-UHFFFAOYSA-N
MW531.71 g/mol
LogP11.19
Rot. Bonds2

About 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole

2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole (PubChem CID 163575771) has the molecular formula C36H21NS2 and a molecular weight of 531.71 g/mol. Its IUPAC name is 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
PubChem CID163575771
Molecular FormulaC36H21NS2
Molecular Weight531.71 g/mol
Exact Mass531.11
IUPAC Name2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6cc7sc8ccccc8c7cc6c5c4)cc32)cc1
InChIInChI=1S/C36H21NS2/c1-2-8-24(9-3-1)37-31-12-6-4-10-25(31)26-16-14-23(19-32(26)37)22-15-17-34-28(18-22)30-20-29-27-11-5-7-13-33(27)38-35(29)21-36(30)39-34/h1-21H
InChIKeyGDIHUNOVGCVQON-UHFFFAOYSA-N
XLogP11.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.71
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole 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

3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 144964121

Frequently Asked Questions

What is the IUPAC name of 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole?
The IUPAC name of 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole (CID 163575771) is 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5sc6cc7sc8ccccc8c7cc6c5c4)cc32)cc1.
What is the InChIKey of 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole?
The InChIKey is GDIHUNOVGCVQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NS2/c1-2-8-24(9-3-1)37-31-12-6-4-10-25(31)26-16-14-23(19-32(26)37)22-15-17-34-28(18-22)30-20-29-27-11-5-7-13-33(27)38-35(29)21-36(30)39-34/h1-21H.
What are the key properties of 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole?
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole has a molecular weight of 531.71 g/mol, XLogP of 11.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole is sourced from PubChem (CID 163575771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).