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

C67H45N7 — CID 153494850

IUPAC5-[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
SMILES[2H]C([2H])([2H])c1cc2c(cc1-c1cc3c4c5ccccc5n(-c5ccccc5)c4n(-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c3cc1C([2H])([2H])[2H])c1c3ccccc3n(-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C67H45N7/c1-42-37-61-53(63-49-29-12-15-32-56(49)69(44-21-6-3-7-22-44)65(63)71(61)46-25-10-5-11-26-46)40-51(42)52-41-54-62(38-43(52)2)72(66-64(54)50-30-13-16-33-57(50)70(66)45-23-8-4-9-24-45)47-27-20-28-48(39-47)73-59-35-18-19-36-60(59)74-58-34-17-14-31-55(58)68-67(73)74/h3-41H,1-2H3/i1D3,2D3
InChIKeyBPYKTOCXLDIATO-WFGJKAKNSA-N
MW954.18 g/mol
LogP16.80
Rot. Bonds8

About 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

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 (PubChem CID 153494850) has the molecular formula C67H45N7 and a molecular weight of 954.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID153494850
Molecular FormulaC67H45N7
Molecular Weight954.18 g/mol
Exact Mass953.41
IUPAC Name5-[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
SMILES[2H]C([2H])([2H])c1cc2c(cc1-c1cc3c4c5ccccc5n(-c5ccccc5)c4n(-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c3cc1C([2H])([2H])[2H])c1c3ccccc3n(-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C67H45N7/c1-42-37-61-53(63-49-29-12-15-32-56(49)69(44-21-6-3-7-22-44)65(63)71(61)46-25-10-5-11-26-46)40-51(42)52-41-54-62(38-43(52)2)72(66-64(54)50-30-13-16-33-57(50)70(66)45-23-8-4-9-24-45)47-27-20-28-48(39-47)73-59-35-18-19-36-60(59)74-58-34-17-14-31-55(58)68-67(73)74/h3-41H,1-2H3/i1D3,2D3
InChIKeyBPYKTOCXLDIATO-WFGJKAKNSA-N
XLogP16.80
TPSA41.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.18
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
2-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-8-methyl-[1]benzothiolo[2,3-b]indol-9-yl]-3-methyl-6-phenyl-[1]benzothiolo[2,3-b]indole
CID 146631386
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-3,6,6-trimethyl-2-(6,6,8-trimethyl-5-phenyl-[1]benzogermolo[2,3-b]indol-9-yl)-[1]benzogermolo[2,3-b]indole
CID 147452060
6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 146631411
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
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
2-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7-phenyl-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborol-2-yl]-5,7-diphenyl-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole;5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7-phenyl-2-pyrido[2,3-b]indol-9-yl-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole;2-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7-phenyl-3-(trideuteriomethyl)-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborol-2-yl]-5,7-diphenyl-3-(trideuteriomethyl)-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole;5,7-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1,3,2]benzodiazaborolo[1,2-a][1,3,2]benzodiazaborole
CID 162018936
5-[3-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-carbazol-9-ylphenoxy]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289282
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1cc2c(cc1-c1cc3c4c5ccccc5n(-c5ccccc5)c4n(-c4cccc(-n5c6ccccc6n6c7ccccc7nc56)c4)c3cc1C([2H])([2H])[2H])c1c3ccccc3n(-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is BPYKTOCXLDIATO-WFGJKAKNSA-N. The full InChI is InChI=1S/C67H45N7/c1-42-37-61-53(63-49-29-12-15-32-56(49)69(44-21-6-3-7-22-44)65(63)71(61)46-25-10-5-11-26-46)40-51(42)52-41-54-62(38-43(52)2)72(66-64(54)50-30-13-16-33-57(50)70(66)45-23-8-4-9-24-45)47-27-20-28-48(39-47)73-59-35-18-19-36-60(59)74-58-34-17-14-31-55(58)68-67(73)74/h3-41H,1-2H3/i1D3,2D3.
What are the key properties of 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?
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 has a molecular weight of 954.18 g/mol, XLogP of 16.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153494850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).