6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile

C44H25N5O — CID 134343651

IUPAC6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3cnc4ccccc43)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1
InChIInChI=1S/C44H25N5O/c45-25-27-16-19-39-33(22-27)34-23-28(47-26-46-36-11-3-6-14-41(36)47)17-20-40(34)48(39)29-18-21-43-35(24-29)32-10-7-15-42(44(32)50-43)49-37-12-4-1-8-30(37)31-9-2-5-13-38(31)49/h1-24,26H
InChIKeyNJLUQKAPTOHKSR-UHFFFAOYSA-N
MW639.72 g/mol
LogP10.99
Rot. Bonds3

About 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile

6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile (PubChem CID 134343651) has the molecular formula C44H25N5O and a molecular weight of 639.72 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
PubChem CID134343651
Molecular FormulaC44H25N5O
Molecular Weight639.72 g/mol
Exact Mass639.21
IUPAC Name6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-n3cnc4ccccc43)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1
InChIInChI=1S/C44H25N5O/c45-25-27-16-19-39-33(22-27)34-23-28(47-26-46-36-11-3-6-14-41(36)47)17-20-40(34)48(39)29-18-21-43-35(24-29)32-10-7-15-42(44(32)50-43)49-37-12-4-1-8-30(37)31-9-2-5-13-38(31)49/h1-24,26H
InChIKeyNJLUQKAPTOHKSR-UHFFFAOYSA-N
XLogP10.99
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.72
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
3-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)-6-isocyanocarbazole
CID 140850504
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole
CID 58037524
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
CID 145179110
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile?
The IUPAC name of 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile (CID 134343651) is 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile?
The canonical SMILES for 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-n3cnc4ccccc43)ccc1n2-c1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.
What is the InChIKey of 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile?
The InChIKey is NJLUQKAPTOHKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5O/c45-25-27-16-19-39-33(22-27)34-23-28(47-26-46-36-11-3-6-14-41(36)47)17-20-40(34)48(39)29-18-21-43-35(24-29)32-10-7-15-42(44(32)50-43)49-37-12-4-1-8-30(37)31-9-2-5-13-38(31)49/h1-24,26H.
What are the key properties of 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile?
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile has a molecular weight of 639.72 g/mol, XLogP of 10.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 134343651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).