7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole

C54H33N3S — CID 167193195

IUPAC7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C54H33N3S/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)56(47)37-29-35(30-38(31-37)57-49-21-9-3-15-41(49)42-16-4-10-22-50(42)57)34-25-27-36(28-26-34)55-51-23-11-5-17-43(51)45-32-46-44-18-6-12-24-53(44)58-54(46)33-52(45)55/h1-33H
InChIKeyPWIKTHQLOCCCSZ-UHFFFAOYSA-N
MW755.95 g/mol
LogP15.01
Rot. Bonds4

About 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole

7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 167193195) has the molecular formula C54H33N3S and a molecular weight of 755.95 g/mol. Its IUPAC name is 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID167193195
Molecular FormulaC54H33N3S
Molecular Weight755.95 g/mol
Exact Mass755.24
IUPAC Name7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C54H33N3S/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)56(47)37-29-35(30-38(31-37)57-49-21-9-3-15-41(49)42-16-4-10-22-50(42)57)34-25-27-36(28-26-34)55-51-23-11-5-17-43(51)45-32-46-44-18-6-12-24-53(44)58-54(46)33-52(45)55/h1-33H
InChIKeyPWIKTHQLOCCCSZ-UHFFFAOYSA-N
XLogP15.01
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.95
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193342
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-dibenzothiophen-2-yl-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole
CID 170111743
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
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 154946577

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 167193195) is 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is PWIKTHQLOCCCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3S/c1-7-19-47-39(13-1)40-14-2-8-20-48(40)56(47)37-29-35(30-38(31-37)57-49-21-9-3-15-41(49)42-16-4-10-22-50(42)57)34-25-27-36(28-26-34)55-51-23-11-5-17-43(51)45-32-46-44-18-6-12-24-53(44)58-54(46)33-52(45)55/h1-33H.
What are the key properties of 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 755.95 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 167193195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).