9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole

C38H28N4O — CID 177287913

IUPAC9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole
SMILESCc1cccc(C)c1-n1c(-n2c3ccccc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)nc2ccccc21
InChIInChI=1S/C38H28N4O/c1-25-11-9-12-26(2)37(25)42-35-19-6-4-17-33(35)40-38(42)41-34-18-5-3-15-30(34)31-21-20-29(24-36(31)41)43-28-14-10-13-27(23-28)32-16-7-8-22-39-32/h3-24H,1-2H3
InChIKeyCNCKELJIRGMZBI-UHFFFAOYSA-N
MW556.67 g/mol
LogP9.59
Rot. Bonds5

About 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole

9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole (PubChem CID 177287913) has the molecular formula C38H28N4O and a molecular weight of 556.67 g/mol. Its IUPAC name is 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole.

Molecular Properties

Compound Name9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole
PubChem CID177287913
Molecular FormulaC38H28N4O
Molecular Weight556.67 g/mol
Exact Mass556.23
IUPAC Name9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole
SMILESCc1cccc(C)c1-n1c(-n2c3ccccc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)nc2ccccc21
InChIInChI=1S/C38H28N4O/c1-25-11-9-12-26(2)37(25)42-35-19-6-4-17-33(35)40-38(42)41-34-18-5-3-15-30(34)31-21-20-29(24-36(31)41)43-28-14-10-13-27(23-28)32-16-7-8-22-39-32/h3-24H,1-2H3
InChIKeyCNCKELJIRGMZBI-UHFFFAOYSA-N
XLogP9.59
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-carbazol-9-yl-1-(2,6-dimethylphenyl)benzimidazol-4-yl]oxy-9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]carbazole
CID 140743195
9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)phenoxy]carbazole
CID 159036462
2-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]carbazole
CID 157309979
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
20-(3-pyridin-2-ylphenyl)-2,9,20-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(28),3,5,7,9,11,13,15,17,19(27),21,23,25-tridecaene
CID 90432578
11-(2,6-dimethylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154611418
4-[3-(4-phenyl-2-pyridinyl)phenoxy]-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 162146138
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole?
The IUPAC name of 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole (CID 177287913) is 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole.
What is the SMILES notation for 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole?
The canonical SMILES for 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole is Cc1cccc(C)c1-n1c(-n2c3ccccc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)nc2ccccc21.
What is the InChIKey of 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole?
The InChIKey is CNCKELJIRGMZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4O/c1-25-11-9-12-26(2)37(25)42-35-19-6-4-17-33(35)40-38(42)41-34-18-5-3-15-30(34)31-21-20-29(24-36(31)41)43-28-14-10-13-27(23-28)32-16-7-8-22-39-32/h3-24H,1-2H3.
What are the key properties of 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole?
9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole has a molecular weight of 556.67 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole is sourced from PubChem (CID 177287913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).