9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile

C37H31N5O — CID 155636196

IUPAC9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(N5C=CN(c6ccccc6)C5)c4)cc32)c1
InChIInChI=1S/C37H31N5O/c1-37(2,3)27-16-17-39-36(21-27)42-34-15-12-26(24-38)20-33(34)32-14-13-31(23-35(32)42)43-30-11-7-10-29(22-30)41-19-18-40(25-41)28-8-5-4-6-9-28/h4-23H,25H2,1-3H3
InChIKeyOIBQXXPSMMIFGO-UHFFFAOYSA-N
MW561.69 g/mol
LogP8.90
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile

9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile (PubChem CID 155636196) has the molecular formula C37H31N5O and a molecular weight of 561.69 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
PubChem CID155636196
Molecular FormulaC37H31N5O
Molecular Weight561.69 g/mol
Exact Mass561.25
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(N5C=CN(c6ccccc6)C5)c4)cc32)c1
InChIInChI=1S/C37H31N5O/c1-37(2,3)27-16-17-39-36(21-27)42-34-15-12-26(24-38)20-33(34)32-14-13-31(23-35(32)42)43-30-11-7-10-29(22-30)41-19-18-40(25-41)28-8-5-4-6-9-28/h4-23H,25H2,1-3H3
InChIKeyOIBQXXPSMMIFGO-UHFFFAOYSA-N
XLogP8.90
TPSA57.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157050579
9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155635938
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4-diphenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155651780
2-[3-[3-[3,5-bis(2-methylpropyl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652120
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 161137639
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162061748

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile (CID 155636196) is 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile is CC(C)(C)c1ccnc(-n2c3ccc(C#N)cc3c3ccc(Oc4cccc(N5C=CN(c6ccccc6)C5)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile?
The InChIKey is OIBQXXPSMMIFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N5O/c1-37(2,3)27-16-17-39-36(21-27)42-34-15-12-26(24-38)20-33(34)32-14-13-31(23-35(32)42)43-30-11-7-10-29(22-30)41-19-18-40(25-41)28-8-5-4-6-9-28/h4-23H,25H2,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile?
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile has a molecular weight of 561.69 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile is sourced from PubChem (CID 155636196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).