9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile

C33H26N4O — CID 155636264

IUPAC9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
SMILESCC(C)Cc1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)c1
InChIInChI=1S/C33H26N4O/c1-22(2)16-23-13-15-36-33(18-23)37-31-12-9-24(21-34)17-29(31)28-11-10-27(20-32(28)37)38-26-7-5-6-25(19-26)30-8-3-4-14-35-30/h3-15,17-20,22H,16H2,1-2H3
InChIKeyOSOLNGTWGNXVAS-UHFFFAOYSA-N
MW494.60 g/mol
LogP8.10
Rot. Bonds6

About 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile

9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile (PubChem CID 155636264) has the molecular formula C33H26N4O and a molecular weight of 494.60 g/mol. Its IUPAC name is 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
PubChem CID155636264
Molecular FormulaC33H26N4O
Molecular Weight494.60 g/mol
Exact Mass494.21
IUPAC Name9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
SMILESCC(C)Cc1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)c1
InChIInChI=1S/C33H26N4O/c1-22(2)16-23-13-15-36-33(18-23)37-31-12-9-24(21-34)17-29(31)28-11-10-27(20-32(28)37)38-26-7-5-6-25(19-26)30-8-3-4-14-35-30/h3-15,17-20,22H,16H2,1-2H3
InChIKeyOSOLNGTWGNXVAS-UHFFFAOYSA-N
XLogP8.10
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155635938
7-[3-[1-(2,6-dimethylphenyl)pyrrolo[2,3-c]pyridin-5-yl]phenoxy]-9-[4-(2-methylpropyl)-2-pyridinyl]carbazole-3-carbonitrile
CID 155635884
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
CID 155636196
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
9-[4-(2-methylpropyl)-2-pyridinyl]-2-[3-[4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153414468
9-(4-tert-butyl-2-pyridinyl)-7-[3-[4-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
CID 170513440
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
7-[3-[3-(2,6-dimethylphenyl)-2H-imidazol-1-ium-2-id-1-yl]phenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 167415079
7-[3-tert-butyl-5-[2-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 155636000
[3-[9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-trimethylgermane
CID 168743700
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
The IUPAC name of 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile (CID 155636264) is 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile is CC(C)Cc1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)c1.
What is the InChIKey of 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
The InChIKey is OSOLNGTWGNXVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O/c1-22(2)16-23-13-15-36-33(18-23)37-31-12-9-24(21-34)17-29(31)28-11-10-27(20-32(28)37)38-26-7-5-6-25(19-26)30-8-3-4-14-35-30/h3-15,17-20,22H,16H2,1-2H3.
What are the key properties of 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile has a molecular weight of 494.60 g/mol, XLogP of 8.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile is sourced from PubChem (CID 155636264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).