4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine

C28H24N4O — CID 144796676

IUPAC4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine
SMILESCC(N)=C/C(C)=N/c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1
InChIInChI=1S/C28H24N4O/c1-19(29)16-20(2)31-21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)32(27(25)18-23)28-12-5-6-15-30-28/h3-18H,29H2,1-2H3/b19-16?,31-20+
InChIKeyVRVQVBGEQJACLU-LWDQNZGVSA-N
MW432.53 g/mol
LogP6.93
Rot. Bonds5

About 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine

4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine (PubChem CID 144796676) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine.

Molecular Properties

Compound Name4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine
PubChem CID144796676
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine
SMILESCC(N)=C/C(C)=N/c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1
InChIInChI=1S/C28H24N4O/c1-19(29)16-20(2)31-21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)32(27(25)18-23)28-12-5-6-15-30-28/h3-18H,29H2,1-2H3/b19-16?,31-20+
InChIKeyVRVQVBGEQJACLU-LWDQNZGVSA-N
XLogP6.93
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
2-[3-[4-(4-methylphenyl)-3H-1,2,4-triazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 159315592

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine?
The IUPAC name of 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine (CID 144796676) is 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine.
What is the SMILES notation for 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine?
The canonical SMILES for 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine is CC(N)=C/C(C)=N/c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.
What is the InChIKey of 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine?
The InChIKey is VRVQVBGEQJACLU-LWDQNZGVSA-N. The full InChI is InChI=1S/C28H24N4O/c1-19(29)16-20(2)31-21-8-7-9-22(17-21)33-23-13-14-25-24-10-3-4-11-26(24)32(27(25)18-23)28-12-5-6-15-30-28/h3-18H,29H2,1-2H3/b19-16?,31-20+.
What are the key properties of 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine?
4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine has a molecular weight of 432.53 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine is sourced from PubChem (CID 144796676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).