7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole

C48H28N2S2 — CID 126652548

IUPAC7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C48H28N2S2/c1-7-19-39(49-41-21-9-3-15-31(41)35-25-37-33-17-5-11-23-45(33)51-47(37)27-43(35)49)29(13-1)30-14-2-8-20-40(30)50-42-22-10-4-16-32(42)36-26-38-34-18-6-12-24-46(34)52-48(38)28-44(36)50/h1-28H
InChIKeyCOORZEDFAOEQIH-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.28
Rot. Bonds3

About 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole

7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 126652548) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID126652548
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C48H28N2S2/c1-7-19-39(49-41-21-9-3-15-31(41)35-25-37-33-17-5-11-23-45(33)51-47(37)27-43(35)49)29(13-1)30-14-2-8-20-40(30)50-42-22-10-4-16-32(42)36-26-38-34-18-6-12-24-46(34)52-48(38)28-44(36)50/h1-28H
InChIKeyCOORZEDFAOEQIH-UHFFFAOYSA-N
XLogP14.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine
CID 170130014
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
CID 146594533
9-[2-[2-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 140822705
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 146602380
7-iodo-[1]benzothiolo[2,3-b]carbazole
CID 126517461
7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 177252934

Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 126652548) is 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.
What is the InChIKey of 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is COORZEDFAOEQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-7-19-39(49-41-21-9-3-15-31(41)35-25-37-33-17-5-11-23-45(33)51-47(37)27-43(35)49)29(13-1)30-14-2-8-20-40(30)50-42-22-10-4-16-32(42)36-26-38-34-18-6-12-24-46(34)52-48(38)28-44(36)50/h1-28H.
What are the key properties of 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 696.90 g/mol, XLogP of 14.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 126652548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).