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

C32H29N5O — CID 155636278

IUPAC9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
SMILES[C-]#[N+]c1cccc2c3ccc(Oc4cccc(N5C=CN(C)C5)c4)cc3n(-c3cc(C(C)(C)C)ccn3)c12
InChIInChI=1S/C32H29N5O/c1-32(2,3)22-14-15-34-30(18-22)37-29-20-25(12-13-26(29)27-10-7-11-28(33-4)31(27)37)38-24-9-6-8-23(19-24)36-17-16-35(5)21-36/h6-20H,21H2,1-3,5H3
InChIKeyIVLGDSICJMGKSL-UHFFFAOYSA-N
MW499.62 g/mol
LogP8.00
Rot. Bonds4

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

9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole (PubChem CID 155636278) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
PubChem CID155636278
Molecular FormulaC32H29N5O
Molecular Weight499.62 g/mol
Exact Mass499.24
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
SMILES[C-]#[N+]c1cccc2c3ccc(Oc4cccc(N5C=CN(C)C5)c4)cc3n(-c3cc(C(C)(C)C)ccn3)c12
InChIInChI=1S/C32H29N5O/c1-32(2,3)22-14-15-34-30(18-22)37-29-20-25(12-13-26(29)27-10-7-11-28(33-4)31(27)37)38-24-9-6-8-23(19-24)36-17-16-35(5)21-36/h6-20H,21H2,1-3,5H3
InChIKeyIVLGDSICJMGKSL-UHFFFAOYSA-N
XLogP8.00
TPSA37.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-isocyano-5-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]carbazole
CID 155635755
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
CID 155635818
12-(4-tert-butyl-2-pyridinyl)-10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-imidazol-1-yl]phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176782184
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
CID 155636196
2-[3-[3-[3,5-bis(2-methylpropyl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652120
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
2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
CID 169031337
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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole (CID 155636278) is 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole is [C-]#[N+]c1cccc2c3ccc(Oc4cccc(N5C=CN(C)C5)c4)cc3n(-c3cc(C(C)(C)C)ccn3)c12.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole?
The InChIKey is IVLGDSICJMGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O/c1-32(2,3)22-14-15-34-30(18-22)37-29-20-25(12-13-26(29)27-10-7-11-28(33-4)31(27)37)38-24-9-6-8-23(19-24)36-17-16-35(5)21-36/h6-20H,21H2,1-3,5H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole has a molecular weight of 499.62 g/mol, XLogP of 8.00, 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)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 155636278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).