1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine

C34H28N2O2 — CID 101479607

IUPAC1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine
SMILESNC1(c2ccc(C3(N)OC(c4ccccc4)c4ccccc43)cc2)OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C34H28N2O2/c35-33(29-17-9-7-15-27(29)31(37-33)23-11-3-1-4-12-23)25-19-21-26(22-20-25)34(36)30-18-10-8-16-28(30)32(38-34)24-13-5-2-6-14-24/h1-22,31-32H,35-36H2
InChIKeyDOMKUIQMZFWUAO-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.25
Rot. Bonds4

About 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine

1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine (PubChem CID 101479607) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine.

Molecular Properties

Compound Name1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine
PubChem CID101479607
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine
SMILESNC1(c2ccc(C3(N)OC(c4ccccc4)c4ccccc43)cc2)OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C34H28N2O2/c35-33(29-17-9-7-15-27(29)31(37-33)23-11-3-1-4-12-23)25-19-21-26(22-20-25)34(36)30-18-10-8-16-28(30)32(38-34)24-13-5-2-6-14-24/h1-22,31-32H,35-36H2
InChIKeyDOMKUIQMZFWUAO-UHFFFAOYSA-N
XLogP6.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-amino-3H-2-benzofuran-1-yl)phenyl]-3H-2-benzofuran-1-amine
CID 15258868
1-Phenyl-1,3-dihydronaphtho[2,3-c]furan-1-amine
CID 14064964
Bis[1-(1-ethylfluoren-1-yl)oxy-1-phenylethyl]diazene
CID 157741588
1-phenyl-3H-benzo[e][2]benzoxol-1-amine
CID 14064974

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine?
The IUPAC name of 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine (CID 101479607) is 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine.
What is the SMILES notation for 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine?
The canonical SMILES for 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine is NC1(c2ccc(C3(N)OC(c4ccccc4)c4ccccc43)cc2)OC(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine?
The InChIKey is DOMKUIQMZFWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O2/c35-33(29-17-9-7-15-27(29)31(37-33)23-11-3-1-4-12-23)25-19-21-26(22-20-25)34(36)30-18-10-8-16-28(30)32(38-34)24-13-5-2-6-14-24/h1-22,31-32H,35-36H2.
What are the key properties of 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine?
1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine has a molecular weight of 496.61 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-3-phenyl-3H-2-benzofuran-1-yl)phenyl]-3-phenyl-3H-2-benzofuran-1-amine is sourced from PubChem (CID 101479607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).