12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole

C54H33N3S — CID 126579987

IUPAC12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4cc32)cc1
InChIInChI=1S/C54H33N3S/c1-2-15-35(16-3-1)55-46-26-11-6-20-42(46)51-48(55)33-49-52(53(51)57-44-24-9-4-17-38(44)39-18-5-10-25-45(39)57)43-21-7-12-27-47(43)56(49)36-31-29-34(30-32-36)37-22-14-23-41-40-19-8-13-28-50(40)58-54(37)41/h1-33H
InChIKeyIFTVRBCFGXIVLL-UHFFFAOYSA-N
MW755.95 g/mol
LogP15.01
Rot. Bonds4

About 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole

12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 126579987) has the molecular formula C54H33N3S and a molecular weight of 755.95 g/mol. Its IUPAC name is 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
PubChem CID126579987
Molecular FormulaC54H33N3S
Molecular Weight755.95 g/mol
Exact Mass755.24
IUPAC Name12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4cc32)cc1
InChIInChI=1S/C54H33N3S/c1-2-15-35(16-3-1)55-46-26-11-6-20-42(46)51-48(55)33-49-52(53(51)57-44-24-9-4-17-38(44)39-18-5-10-25-45(39)57)43-21-7-12-27-47(43)56(49)36-31-29-34(30-32-36)37-22-14-23-41-40-19-8-13-28-50(40)58-54(37)41/h1-33H
InChIKeyIFTVRBCFGXIVLL-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

9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
9-[2,3-di(carbazol-9-yl)-5-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 163960448
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole (CID 126579987) is 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c4cc32)cc1.
What is the InChIKey of 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is IFTVRBCFGXIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3S/c1-2-15-35(16-3-1)55-46-26-11-6-20-42(46)51-48(55)33-49-52(53(51)57-44-24-9-4-17-38(44)39-18-5-10-25-45(39)57)43-21-7-12-27-47(43)56(49)36-31-29-34(30-32-36)37-22-14-23-41-40-19-8-13-28-50(40)58-54(37)41/h1-33H.
What are the key properties of 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole?
12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[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 12-carbazol-9-yl-5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 126579987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).