2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole

C35H25N5O — CID 165167764

IUPAC2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(N6CNc7ccccc76)c5)cc43)nc2)nc1
InChIInChI=1S/C35H25N5O/c1-3-13-32-28(10-1)29-17-16-27(21-34(29)40(32)35-18-15-24(22-37-35)30-11-5-6-19-36-30)41-26-9-7-8-25(20-26)39-23-38-31-12-2-4-14-33(31)39/h1-22,38H,23H2
InChIKeyNOXYFJPTYRKVCQ-UHFFFAOYSA-N
MW531.62 g/mol
LogP8.55
Rot. Bonds5

About 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole

2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole (PubChem CID 165167764) has the molecular formula C35H25N5O and a molecular weight of 531.62 g/mol. Its IUPAC name is 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole
PubChem CID165167764
Molecular FormulaC35H25N5O
Molecular Weight531.62 g/mol
Exact Mass531.21
IUPAC Name2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(N6CNc7ccccc76)c5)cc43)nc2)nc1
InChIInChI=1S/C35H25N5O/c1-3-13-32-28(10-1)29-17-16-27(21-34(29)40(32)35-18-15-24(22-37-35)30-11-5-6-19-36-30)41-26-9-7-8-25(20-26)39-23-38-31-12-2-4-14-33(31)39/h1-22,38H,23H2
InChIKeyNOXYFJPTYRKVCQ-UHFFFAOYSA-N
XLogP8.55
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782601
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 162476216

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole (CID 165167764) is 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(N6CNc7ccccc76)c5)cc43)nc2)nc1.
What is the InChIKey of 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole?
The InChIKey is NOXYFJPTYRKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O/c1-3-13-32-28(10-1)29-17-16-27(21-34(29)40(32)35-18-15-24(22-37-35)30-11-5-6-19-36-30)41-26-9-7-8-25(20-26)39-23-38-31-12-2-4-14-33(31)39/h1-22,38H,23H2.
What are the key properties of 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole?
2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole has a molecular weight of 531.62 g/mol, XLogP of 8.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydrobenzimidazol-1-yl)phenoxy]-9-(5-pyridin-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 165167764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).