5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C59H37N7 — CID 146631705

IUPAC5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c32)cc1
InChIInChI=1S/C59H37N7/c1-3-18-38(19-4-1)61-48-28-11-7-24-43(48)55-44-25-8-13-30-50(44)64(57(55)61)42-34-35-51-46(37-42)56-45-26-9-12-29-49(45)62(39-20-5-2-6-21-39)58(56)63(51)40-22-17-23-41(36-40)65-53-32-15-16-33-54(53)66-52-31-14-10-27-47(52)60-59(65)66/h1-37H
InChIKeyAYYYQQBOLRXKQN-UHFFFAOYSA-N
MW843.99 g/mol
LogP14.51
Rot. Bonds5

About 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 146631705) has the molecular formula C59H37N7 and a molecular weight of 843.99 g/mol. Its IUPAC name is 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID146631705
Molecular FormulaC59H37N7
Molecular Weight843.99 g/mol
Exact Mass843.31
IUPAC Name5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c32)cc1
InChIInChI=1S/C59H37N7/c1-3-18-38(19-4-1)61-48-28-11-7-24-43(48)55-44-25-8-13-30-50(44)64(57(55)61)42-34-35-51-46(37-42)56-45-26-9-12-29-49(45)62(39-20-5-2-6-21-39)58(56)63(51)40-22-17-23-41(36-40)65-53-32-15-16-33-54(53)66-52-31-14-10-27-47(52)60-59(65)66/h1-37H
InChIKeyAYYYQQBOLRXKQN-UHFFFAOYSA-N
XLogP14.51
TPSA41.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.99
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[2-[5,6-diphenyl-3-(trideuteriomethyl)indolo[2,3-b]indol-2-yl]-6-phenyl-3-(trideuteriomethyl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 153494850
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 146631411
5-[9-[3-(2-phenylpropan-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174283099
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 146631705) is 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3c4ccccc4n(-c4ccc5c(c4)c4c6ccccc6n(-c6ccccc6)c4n5-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c32)cc1.
What is the InChIKey of 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is AYYYQQBOLRXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N7/c1-3-18-38(19-4-1)61-48-28-11-7-24-43(48)55-44-25-8-13-30-50(44)64(57(55)61)42-34-35-51-46(37-42)56-45-26-9-12-29-49(45)62(39-20-5-2-6-21-39)58(56)63(51)40-22-17-23-41(36-40)65-53-32-15-16-33-54(53)66-52-31-14-10-27-47(52)60-59(65)66/h1-37H.
What are the key properties of 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 843.99 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 146631705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).