9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile

C33H26N4O — CID 155635938

IUPAC9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)c1
InChIInChI=1S/C33H26N4O/c1-33(2,3)24-14-16-36-32(19-24)37-30-13-10-22(21-34)17-28(30)27-12-11-26(20-31(27)37)38-25-8-6-7-23(18-25)29-9-4-5-15-35-29/h4-20H,1-3H3
InChIKeyINZIFPOWTAQCNZ-UHFFFAOYSA-N
MW494.60 g/mol
LogP8.20
Rot. Bonds4

About 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile

9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile (PubChem CID 155635938) has the molecular formula C33H26N4O and a molecular weight of 494.60 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
PubChem CID155635938
Molecular FormulaC33H26N4O
Molecular Weight494.60 g/mol
Exact Mass494.21
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)c1
InChIInChI=1S/C33H26N4O/c1-33(2,3)24-14-16-36-32(19-24)37-30-13-10-22(21-34)17-28(30)27-12-11-26(20-31(27)37)38-25-8-6-7-23(18-25)29-9-4-5-15-35-29/h4-20H,1-3H3
InChIKeyINZIFPOWTAQCNZ-UHFFFAOYSA-N
XLogP8.20
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2-methylpropyl)-2-pyridinyl]-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155636264
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
CID 155636196
[3-[9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-trimethylgermane
CID 168743700
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-(3-tert-butyl-5-pyridin-2-ylphenoxy)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158919031
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
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)-2-[3-(3-phenyl-1,2,4-triazol-4-yl)phenoxy]carbazole
CID 170654633
3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(3-methylbenzimidazol-3-ium-1-yl)benzonitrile
CID 155636117
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole
CID 170934775

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile (CID 155635938) is 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile is CC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(-c5ccccn5)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
The InChIKey is INZIFPOWTAQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O/c1-33(2,3)24-14-16-36-32(19-24)37-30-13-10-22(21-34)17-28(30)27-12-11-26(20-31(27)37)38-25-8-6-7-23(18-25)29-9-4-5-15-35-29/h4-20H,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile?
9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile has a molecular weight of 494.60 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile is sourced from PubChem (CID 155635938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).