6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole

C50H30N2S2 — CID 164828377

IUPAC6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cccc(-c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)c5sc6ccccc6c45)c32)c([2H])c1[2H]
InChIInChI=1S/C50H30N2S2/c1-3-15-31(16-4-1)51-42-26-10-7-19-33(42)35-22-13-23-36(46(35)51)34-29-30-38(49-45(34)40-21-9-12-28-44(40)53-49)37-24-14-25-41-47-50(54-48(37)41)39-20-8-11-27-43(39)52(47)32-17-5-2-6-18-32/h1-30H/i1D,3D,4D,15D,16D
InChIKeyJXHUHEOLZHYUSS-HKAAOZRYSA-N
MW727.97 g/mol
LogP14.80
Rot. Bonds4

About 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole

6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828377) has the molecular formula C50H30N2S2 and a molecular weight of 727.97 g/mol. Its IUPAC name is 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828377
Molecular FormulaC50H30N2S2
Molecular Weight727.97 g/mol
Exact Mass727.22
IUPAC Name6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cccc(-c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)c5sc6ccccc6c45)c32)c([2H])c1[2H]
InChIInChI=1S/C50H30N2S2/c1-3-15-31(16-4-1)51-42-26-10-7-19-33(42)35-22-13-23-36(46(35)51)34-29-30-38(49-45(34)40-21-9-12-28-44(40)53-49)37-24-14-25-41-47-50(54-48(37)41)39-20-8-11-27-43(39)52(47)32-17-5-2-6-18-32/h1-30H/i1D,3D,4D,15D,16D
InChIKeyJXHUHEOLZHYUSS-HKAAOZRYSA-N
XLogP14.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.97
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162489007
8-dibenzothiophen-1-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828230
10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
CID 164828249
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490719

Frequently Asked Questions

What is the IUPAC name of 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828377) is 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cccc(-c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)c5sc6ccccc6c45)c32)c([2H])c1[2H].
What is the InChIKey of 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is JXHUHEOLZHYUSS-HKAAOZRYSA-N. The full InChI is InChI=1S/C50H30N2S2/c1-3-15-31(16-4-1)51-42-26-10-7-19-33(42)35-22-13-23-36(46(35)51)34-29-30-38(49-45(34)40-21-9-12-28-44(40)53-49)37-24-14-25-41-47-50(54-48(37)41)39-20-8-11-27-43(39)52(47)32-17-5-2-6-18-32/h1-30H/i1D,3D,4D,15D,16D.
What are the key properties of 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole?
6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 727.97 g/mol, XLogP of 14.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-1-yl]dibenzothiophen-4-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).