10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C54H33N3S — CID 134223312

IUPAC10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C54H33N3S/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-44-41-28-34(24-26-48(41)56(51(44)32-50(43)55)37-16-6-2-7-17-37)35-25-27-49-42(29-35)45-31-46-40-21-11-13-23-53(40)58-54(46)33-52(45)57(49)38-18-8-3-9-19-38/h1-33H
InChIKeyVTBPITWPSZMDTO-UHFFFAOYSA-N
MW755.95 g/mol
LogP15.01
Rot. Bonds4

About 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 134223312) has the molecular formula C54H33N3S and a molecular weight of 755.95 g/mol. Its IUPAC name is 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID134223312
Molecular FormulaC54H33N3S
Molecular Weight755.95 g/mol
Exact Mass755.24
IUPAC Name10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C54H33N3S/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-44-41-28-34(24-26-48(41)56(51(44)32-50(43)55)37-16-6-2-7-17-37)35-25-27-49-42(29-35)45-31-46-40-21-11-13-23-53(40)58-54(46)33-52(45)57(49)38-18-8-3-9-19-38/h1-33H
InChIKeyVTBPITWPSZMDTO-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

2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424

Frequently Asked Questions

What is the IUPAC name of 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 134223312) is 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3c3cc4c(cc32)sc2ccccc24)cc1.
What is the InChIKey of 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is VTBPITWPSZMDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3S/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-44-41-28-34(24-26-48(41)56(51(44)32-50(43)55)37-16-6-2-7-17-37)35-25-27-49-42(29-35)45-31-46-40-21-11-13-23-53(40)58-54(46)33-52(45)57(49)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-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 10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 134223312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).