7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole

C56H34N2S — CID 126579960

IUPAC7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5cc43)cc1)c1ccccc12
InChIInChI=1S/C56H34N2S/c1-2-13-40-37(12-1)32-48(43-15-4-3-14-42(40)43)36-26-30-39(31-27-36)58-52-22-9-6-17-45(52)50-33-49-44-16-5-8-21-51(44)57(53(49)34-54(50)58)38-28-24-35(25-29-38)41-19-11-20-47-46-18-7-10-23-55(46)59-56(41)47/h1-34H
InChIKeyANVPTQQFMZLRAM-UHFFFAOYSA-N
MW766.97 g/mol
LogP15.89
Rot. Bonds4

About 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole

7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole (PubChem CID 126579960) has the molecular formula C56H34N2S and a molecular weight of 766.97 g/mol. Its IUPAC name is 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole
PubChem CID126579960
Molecular FormulaC56H34N2S
Molecular Weight766.97 g/mol
Exact Mass766.24
IUPAC Name7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5cc43)cc1)c1ccccc12
InChIInChI=1S/C56H34N2S/c1-2-13-40-37(12-1)32-48(43-15-4-3-14-42(40)43)36-26-30-39(31-27-36)58-52-22-9-6-17-45(52)50-33-49-44-16-5-8-21-51(44)57(53(49)34-54(50)58)38-28-24-35(25-29-38)41-19-11-20-47-46-18-7-10-23-55(46)59-56(41)47/h1-34H
InChIKeyANVPTQQFMZLRAM-UHFFFAOYSA-N
XLogP15.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.97
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
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
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534088
1-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 162770456
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
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole (CID 126579960) is 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole is c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5cc43)cc1)c1ccccc12.
What is the InChIKey of 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole?
The InChIKey is ANVPTQQFMZLRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2S/c1-2-13-40-37(12-1)32-48(43-15-4-3-14-42(40)43)36-26-30-39(31-27-36)58-52-22-9-6-17-45(52)50-33-49-44-16-5-8-21-51(44)57(53(49)34-54(50)58)38-28-24-35(25-29-38)41-19-11-20-47-46-18-7-10-23-55(46)59-56(41)47/h1-34H.
What are the key properties of 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole?
7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole has a molecular weight of 766.97 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 126579960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).