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

C48H28N2S2 — CID 167193311

IUPAC7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C48H28N2S2/c1-5-19-41-33(15-1)37-25-39-35-17-3-7-21-45(35)51-47(39)27-43(37)49(41)31-13-9-11-29(23-31)30-12-10-14-32(24-30)50-42-20-6-2-16-34(42)38-26-40-36-18-4-8-22-46(36)52-48(40)28-44(38)50/h1-28H
InChIKeySZAQVZMUMLFWMY-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.28
Rot. Bonds3

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

7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 167193311) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID167193311
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1
InChIInChI=1S/C48H28N2S2/c1-5-19-41-33(15-1)37-25-39-35-17-3-7-21-45(35)51-47(39)27-43(37)49(41)31-13-9-11-29(23-31)30-12-10-14-32(24-30)50-42-20-6-2-16-34(42)38-26-40-36-18-4-8-22-46(36)52-48(40)28-44(38)50/h1-28H
InChIKeySZAQVZMUMLFWMY-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

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Related Compounds

7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
7-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]carbazole
CID 167260204
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 167193311) is 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c1.
What is the InChIKey of 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is SZAQVZMUMLFWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-5-19-41-33(15-1)37-25-39-35-17-3-7-21-45(35)51-47(39)27-43(37)49(41)31-13-9-11-29(23-31)30-12-10-14-32(24-30)50-42-20-6-2-16-34(42)38-26-40-36-18-4-8-22-46(36)52-48(40)28-44(38)50/h1-28H.
What are the key properties of 7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
7-[3-[3-([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-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 167193311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).