9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole

C42H27NS2Si — CID 153300232

IUPAC9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole
SMILESc1ccc([Si]23c4ccccc4Sc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(c42)Sc2ccccc23)cc1
InChIInChI=1S/C42H27NS2Si/c1-2-15-31(16-3-1)46-40-23-10-8-21-36(40)44-38-26-29(27-39(42(38)46)45-37-22-9-11-24-41(37)46)28-13-12-14-30(25-28)43-34-19-6-4-17-32(34)33-18-5-7-20-35(33)43/h1-27H
InChIKeyZHQUVFMTFLLOJJ-UHFFFAOYSA-N
MW637.91 g/mol
LogP8.76
Rot. Bonds3

About 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole

9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole (PubChem CID 153300232) has the molecular formula C42H27NS2Si and a molecular weight of 637.91 g/mol. Its IUPAC name is 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole
PubChem CID153300232
Molecular FormulaC42H27NS2Si
Molecular Weight637.91 g/mol
Exact Mass637.14
IUPAC Name9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole
SMILESc1ccc([Si]23c4ccccc4Sc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(c42)Sc2ccccc23)cc1
InChIInChI=1S/C42H27NS2Si/c1-2-15-31(16-3-1)46-40-23-10-8-21-36(40)44-38-26-29(27-39(42(38)46)45-37-22-9-11-24-41(37)46)28-13-12-14-30(25-28)43-34-19-6-4-17-32(34)33-18-5-7-20-35(33)43/h1-27H
InChIKeyZHQUVFMTFLLOJJ-UHFFFAOYSA-N
XLogP8.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.91
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]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

9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole
CID 177291128
3,6-dimethyl-9-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)carbazole
CID 153300261
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
CID 164757340
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole
CID 153173688
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
CID 177291361
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-2'-ylcarbazole
CID 147520153

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole (CID 153300232) is 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole is c1ccc([Si]23c4ccccc4Sc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc(c42)Sc2ccccc23)cc1.
What is the InChIKey of 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole?
The InChIKey is ZHQUVFMTFLLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS2Si/c1-2-15-31(16-3-1)46-40-23-10-8-21-36(40)44-38-26-29(27-39(42(38)46)45-37-22-9-11-24-41(37)46)28-13-12-14-30(25-28)43-34-19-6-4-17-32(34)33-18-5-7-20-35(33)43/h1-27H.
What are the key properties of 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole?
9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole has a molecular weight of 637.91 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole is sourced from PubChem (CID 153300232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).