2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile

C35H21N5O — CID 140906232

IUPAC2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccn3)c2cc1Oc1cccc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C35H21N5O/c36-22-23-20-27-26-12-3-6-15-30(26)40(33-16-7-8-19-37-33)31(27)21-32(23)41-35-18-9-17-34(38-35)39-28-13-4-1-10-24(28)25-11-2-5-14-29(25)39/h1-21H
InChIKeyIRSBSFRHWOAHBK-UHFFFAOYSA-N
MW527.59 g/mol
LogP8.33
Rot. Bonds4

About 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile

2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile (PubChem CID 140906232) has the molecular formula C35H21N5O and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
PubChem CID140906232
Molecular FormulaC35H21N5O
Molecular Weight527.59 g/mol
Exact Mass527.17
IUPAC Name2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccn3)c2cc1Oc1cccc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C35H21N5O/c36-22-23-20-27-26-12-3-6-15-30(26)40(33-16-7-8-19-37-33)31(27)21-32(23)41-35-18-9-17-34(38-35)39-28-13-4-1-10-24(28)25-11-2-5-14-29(25)39/h1-21H
InChIKeyIRSBSFRHWOAHBK-UHFFFAOYSA-N
XLogP8.33
TPSA68.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 140906146
9-[6-(6-isocyano-9-pyridin-2-ylcarbazol-2-yl)oxy-2-pyridinyl]carbazole-3-carbonitrile
CID 140906288
10-(6-pyridin-2-yloxy-2-pyridinyl)-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
CID 158911455
2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
CID 140906280
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523867
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670

Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
The IUPAC name of 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile (CID 140906232) is 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
The canonical SMILES for 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile is N#Cc1cc2c3ccccc3n(-c3ccccn3)c2cc1Oc1cccc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
The InChIKey is IRSBSFRHWOAHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5O/c36-22-23-20-27-26-12-3-6-15-30(26)40(33-16-7-8-19-37-33)31(27)21-32(23)41-35-18-9-17-34(38-35)39-28-13-4-1-10-24(28)25-11-2-5-14-29(25)39/h1-21H.
What are the key properties of 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile?
2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile has a molecular weight of 527.59 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 140906232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).