9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole

C68H40N6O2 — CID 58037486

IUPAC9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1
InChIInChI=1S/C68H40N6O2/c1-7-22-57-47(16-1)48-17-2-8-23-58(48)71(57)43-28-32-63-51(37-43)53-39-45(30-34-65(53)75-63)73-61-26-11-5-20-55(61)69-67(73)41-14-13-15-42(36-41)68-70-56-21-6-12-27-62(56)74(68)46-31-35-66-54(40-46)52-38-44(29-33-64(52)76-66)72-59-24-9-3-18-49(59)50-19-4-10-25-60(50)72/h1-40H
InChIKeyGQDYONPSBABFKA-UHFFFAOYSA-N
MW973.11 g/mol
LogP17.69
Rot. Bonds6

About 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole

9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole (PubChem CID 58037486) has the molecular formula C68H40N6O2 and a molecular weight of 973.11 g/mol. Its IUPAC name is 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole
PubChem CID58037486
Molecular FormulaC68H40N6O2
Molecular Weight973.11 g/mol
Exact Mass972.32
IUPAC Name9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole
SMILESc1cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1
InChIInChI=1S/C68H40N6O2/c1-7-22-57-47(16-1)48-17-2-8-23-58(48)71(57)43-28-32-63-51(37-43)53-39-45(30-34-65(53)75-63)73-61-26-11-5-20-55(61)69-67(73)41-14-13-15-42(36-41)68-70-56-21-6-12-27-62(56)74(68)46-31-35-66-54(40-46)52-38-44(29-33-64(52)76-66)72-59-24-9-3-18-49(59)50-19-4-10-25-60(50)72/h1-40H
InChIKeyGQDYONPSBABFKA-UHFFFAOYSA-N
XLogP17.69
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.11
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole (CID 58037486) is 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole is c1cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.
What is the InChIKey of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is GQDYONPSBABFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N6O2/c1-7-22-57-47(16-1)48-17-2-8-23-58(48)71(57)43-28-32-63-51(37-43)53-39-45(30-34-65(53)75-63)73-61-26-11-5-20-55(61)69-67(73)41-14-13-15-42(36-41)68-70-56-21-6-12-27-62(56)74(68)46-31-35-66-54(40-46)52-38-44(29-33-64(52)76-66)72-59-24-9-3-18-49(59)50-19-4-10-25-60(50)72/h1-40H.
What are the key properties of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole?
9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 973.11 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58037486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).