4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole

C58H38N4 — CID 144596276

IUPAC4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc4c3c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)c3c(c2)c2c4ccccc4n(-c4ccccc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C58H38N4/c1-6-21-39(22-7-1)40-37-48(56-49(38-40)53-46-31-16-18-34-50(46)59(41-23-8-2-9-24-41)57(53)62(56)44-29-14-5-15-30-44)45-33-20-36-52-54(45)55-47-32-17-19-35-51(47)60(42-25-10-3-11-26-42)58(55)61(52)43-27-12-4-13-28-43/h1-38H
InChIKeyTYVOOBNNMRNMFZ-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.10
Rot. Bonds6

About 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole

4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole (PubChem CID 144596276) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole.

Molecular Properties

Compound Name4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole
PubChem CID144596276
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole
SMILESc1ccc(-c2cc(-c3cccc4c3c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)c3c(c2)c2c4ccccc4n(-c4ccccc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C58H38N4/c1-6-21-39(22-7-1)40-37-48(56-49(38-40)53-46-31-16-18-34-50(46)59(41-23-8-2-9-24-41)57(53)62(56)44-29-14-5-15-30-44)45-33-20-36-52-54(45)55-47-32-17-19-35-51(47)60(42-25-10-3-11-26-42)58(55)61(52)43-27-12-4-13-28-43/h1-38H
InChIKeyTYVOOBNNMRNMFZ-UHFFFAOYSA-N
XLogP15.10
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole with MolForge

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Related Compounds

5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
CID 159023598
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
CID 155152472
4-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 126592656
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 145110606
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole?
The IUPAC name of 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole (CID 144596276) is 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole.
What is the SMILES notation for 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole?
The canonical SMILES for 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole is c1ccc(-c2cc(-c3cccc4c3c3c5ccccc5n(-c5ccccc5)c3n4-c3ccccc3)c3c(c2)c2c4ccccc4n(-c4ccccc4)c2n3-c2ccccc2)cc1.
What is the InChIKey of 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole?
The InChIKey is TYVOOBNNMRNMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-6-21-39(22-7-1)40-37-48(56-49(38-40)53-46-31-16-18-34-50(46)59(41-23-8-2-9-24-41)57(53)62(56)44-29-14-5-15-30-44)45-33-20-36-52-54(45)55-47-32-17-19-35-51(47)60(42-25-10-3-11-26-42)58(55)61(52)43-27-12-4-13-28-43/h1-38H.
What are the key properties of 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole?
4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole has a molecular weight of 790.97 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-diphenylindolo[2,3-b]indol-1-yl)-2,5,6-triphenylindolo[2,3-b]indole is sourced from PubChem (CID 144596276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).