7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C120H66N16S3 — CID 154931818

IUPAC7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)nc1n(-c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cccc5c4n(-c4nccc6c4sc4ccccc46)c4nc6ccc(-c7ccc8c(c7)sc7c(-n9c%10c(-n%11c%12ccccc%12c%12ccccc%12%11)cccc%10c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)nccc78)cc6n54)c4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)c3ccccc3n21
InChIInChI=1S/C120H66N16S3/c1-10-35-87-71(24-1)72-25-2-11-36-88(72)127(87)97-44-21-31-78-79-32-22-45-98(128-89-37-12-3-26-73(89)74-27-4-13-38-90(74)128)109(79)135(108(78)97)116-113-82(60-62-122-116)77-53-50-68(66-106(77)139-113)67-51-55-86-102(64-67)133-100-47-23-46-99(110(100)136(120(133)126-86)117-114-81(59-63-123-117)76-29-7-20-49-105(76)138-114)132-96-56-52-69(65-103(96)130-93-41-16-9-34-85(93)125-119(130)132)70-54-57-101(131-95-43-18-17-42-94(95)129-92-40-15-8-33-84(92)124-118(129)131)111-107(70)83-30-5-14-39-91(83)134(111)115-112-80(58-61-121-115)75-28-6-19-48-104(75)137-112/h1-66H
InChIKeyCHRXZGVWJWLEMD-UHFFFAOYSA-N
MW1828.16 g/mol
LogP30.93
Rot. Bonds9

About 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 154931818) has the molecular formula C120H66N16S3 and a molecular weight of 1828.16 g/mol. Its IUPAC name is 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID154931818
Molecular FormulaC120H66N16S3
Molecular Weight1828.16 g/mol
Exact Mass1826.48
IUPAC Name7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)nc1n(-c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cccc5c4n(-c4nccc6c4sc4ccccc46)c4nc6ccc(-c7ccc8c(c7)sc7c(-n9c%10c(-n%11c%12ccccc%12c%12ccccc%12%11)cccc%10c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)nccc78)cc6n54)c4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)c3ccccc3n21
InChIInChI=1S/C120H66N16S3/c1-10-35-87-71(24-1)72-25-2-11-36-88(72)127(87)97-44-21-31-78-79-32-22-45-98(128-89-37-12-3-26-73(89)74-27-4-13-38-90(74)128)109(79)135(108(78)97)116-113-82(60-62-122-116)77-53-50-68(66-106(77)139-113)67-51-55-86-102(64-67)133-100-47-23-46-99(110(100)136(120(133)126-86)117-114-81(59-63-123-117)76-29-7-20-49-105(76)138-114)132-96-56-52-69(65-103(96)130-93-41-16-9-34-85(93)125-119(130)132)70-54-57-101(131-95-43-18-17-42-94(95)129-92-40-15-8-33-84(92)124-118(129)131)111-107(70)83-30-5-14-39-91(83)134(111)115-112-80(58-61-121-115)75-28-6-19-48-104(75)137-112/h1-66H
InChIKeyCHRXZGVWJWLEMD-UHFFFAOYSA-N
XLogP30.93
TPSA125.08 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001828.16
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 154931818) is 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc2c(c1)nc1n(-c3ccc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cccc5c4n(-c4nccc6c4sc4ccccc46)c4nc6ccc(-c7ccc8c(c7)sc7c(-n9c%10c(-n%11c%12ccccc%12c%12ccccc%12%11)cccc%10c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)nccc78)cc6n54)c4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)c3ccccc3n21.
What is the InChIKey of 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is CHRXZGVWJWLEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H66N16S3/c1-10-35-87-71(24-1)72-25-2-11-36-88(72)127(87)97-44-21-31-78-79-32-22-45-98(128-89-37-12-3-26-73(89)74-27-4-13-38-90(74)128)109(79)135(108(78)97)116-113-82(60-62-122-116)77-53-50-68(66-106(77)139-113)67-51-55-86-102(64-67)133-100-47-23-46-99(110(100)136(120(133)126-86)117-114-81(59-63-123-117)76-29-7-20-49-105(76)138-114)132-96-56-52-69(65-103(96)130-93-41-16-9-34-85(93)125-119(130)132)70-54-57-101(131-95-43-18-17-42-94(95)129-92-40-15-8-33-84(92)124-118(129)131)111-107(70)83-30-5-14-39-91(83)134(111)115-112-80(58-61-121-115)75-28-6-19-48-104(75)137-112/h1-66H.
What are the key properties of 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1828.16 g/mol, XLogP of 30.93, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-4-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]-5-([1]benzothiolo[2,3-c]pyridin-1-yl)benzimidazolo[1,2-a]benzimidazol-9-yl]-1-[1,8-di(carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 154931818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).