2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine

C29H20N4O2 — CID 22964622

IUPAC2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine
SMILES[H]/N=c1\oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C29H20N4O2/c30-27-25(29-32-31-28(35-29)20-10-4-1-5-11-20)18-21-16-17-24(19-26(21)34-27)33(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,30H/b30-27-
InChIKeyFAIGXUUCNLPQBW-IKPAITLHSA-N
MW456.51 g/mol
LogP7.10
Rot. Bonds5

About 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine

2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine (PubChem CID 22964622) has the molecular formula C29H20N4O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine.

Molecular Properties

Compound Name2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine
PubChem CID22964622
Molecular FormulaC29H20N4O2
Molecular Weight456.51 g/mol
Exact Mass456.16
IUPAC Name2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine
SMILES[H]/N=c1\oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C29H20N4O2/c30-27-25(29-32-31-28(35-29)20-10-4-1-5-11-20)18-21-16-17-24(19-26(21)34-27)33(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,30H/b30-27-
InChIKeyFAIGXUUCNLPQBW-IKPAITLHSA-N
XLogP7.10
TPSA79.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine?
The IUPAC name of 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine (CID 22964622) is 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine.
What is the SMILES notation for 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine?
The canonical SMILES for 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine is [H]/N=c1\oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine?
The InChIKey is FAIGXUUCNLPQBW-IKPAITLHSA-N. The full InChI is InChI=1S/C29H20N4O2/c30-27-25(29-32-31-28(35-29)20-10-4-1-5-11-20)18-21-16-17-24(19-26(21)34-27)33(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,30H/b30-27-.
What are the key properties of 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine?
2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine has a molecular weight of 456.51 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N-diphenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-7-amine is sourced from PubChem (CID 22964622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).