7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole

C92H52N14OS — CID 146631696

IUPAC7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESc1cc(-n2c3ccccc3c3c4ccccc4n(-c4cccc5c4nc4sc6cc(-c7cccc8nc9n(-c%10cccc(-n%11c%12ccccc%12c%12c%13ccccc%13n(-c%13cccc%14c%13nc%13oc%15ccccc%15n%13%14)c%12%11)c%10)c%10ccccc%10n9c78)ccc6n45)c32)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C92H52N14OS/c1-6-33-65-59(26-1)82-61-28-3-8-35-67(61)101(76-43-20-45-78-84(76)95-91-104(78)74-42-15-16-47-80(74)107-91)87(82)97(65)55-23-18-25-57(52-55)100-71-39-12-14-41-73(71)106-86-58(30-19-32-64(86)94-90(100)106)53-48-49-75-81(50-53)108-92-96-85-77(44-21-46-79(85)105(75)92)102-68-36-9-4-29-62(68)83-60-27-2-7-34-66(60)98(88(83)102)54-22-17-24-56(51-54)99-70-38-11-13-40-72(70)103-69-37-10-5-31-63(69)93-89(99)103/h1-52H
InChIKeyZMLWJSZUTPBSKP-UHFFFAOYSA-N
MW1401.59 g/mol
LogP22.49
Rot. Bonds7

About 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole

7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 146631696) has the molecular formula C92H52N14OS and a molecular weight of 1401.59 g/mol. Its IUPAC name is 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID146631696
Molecular FormulaC92H52N14OS
Molecular Weight1401.59 g/mol
Exact Mass1400.42
IUPAC Name7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESc1cc(-n2c3ccccc3c3c4ccccc4n(-c4cccc5c4nc4sc6cc(-c7cccc8nc9n(-c%10cccc(-n%11c%12ccccc%12c%12c%13ccccc%13n(-c%13cccc%14c%13nc%13oc%15ccccc%15n%13%14)c%12%11)c%10)c%10ccccc%10n9c78)ccc6n45)c32)cc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C92H52N14OS/c1-6-33-65-59(26-1)82-61-28-3-8-35-67(61)101(76-43-20-45-78-84(76)95-91-104(78)74-42-15-16-47-80(74)107-91)87(82)97(65)55-23-18-25-57(52-55)100-71-39-12-14-41-73(71)106-86-58(30-19-32-64(86)94-90(100)106)53-48-49-75-81(50-53)108-92-96-85-77(44-21-46-79(85)105(75)92)102-68-36-9-4-29-62(68)83-60-27-2-7-34-66(60)98(88(83)102)54-22-17-24-56(51-54)99-70-38-11-13-40-72(70)103-69-37-10-5-31-63(69)93-89(99)103/h1-52H
InChIKeyZMLWJSZUTPBSKP-UHFFFAOYSA-N
XLogP22.49
TPSA111.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.59
LogP ≤ 522.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole (CID 146631696) is 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole is c1cc(-n2c3ccccc3c3c4ccccc4n(-c4cccc5c4nc4sc6cc(-c7cccc8nc9n(-c%10cccc(-n%11c%12ccccc%12c%12c%13ccccc%13n(-c%13cccc%14c%13nc%13oc%15ccccc%15n%13%14)c%12%11)c%10)c%10ccccc%10n9c78)ccc6n45)c32)cc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is ZMLWJSZUTPBSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H52N14OS/c1-6-33-65-59(26-1)82-61-28-3-8-35-67(61)101(76-43-20-45-78-84(76)95-91-104(78)74-42-15-16-47-80(74)107-91)87(82)97(65)55-23-18-25-57(52-55)100-71-39-12-14-41-73(71)106-86-58(30-19-32-64(86)94-90(100)106)53-48-49-75-81(50-53)108-92-96-85-77(44-21-46-79(85)105(75)92)102-68-36-9-4-29-62(68)83-60-27-2-7-34-66(60)98(88(83)102)54-22-17-24-56(51-54)99-70-38-11-13-40-72(70)103-69-37-10-5-31-63(69)93-89(99)103/h1-52H.
What are the key properties of 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole?
7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 1401.59 g/mol, XLogP of 22.49, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[3-[1-[7-[6-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 146631696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).