(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane

C40H37N2P — CID 143992589

IUPAC(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane
SMILESC/C(Nc1cccc(-c2ccccc2)c1)=C(\C)Nc1cccc(-c2ccccc2)c1.Pc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H26N2.C12H11P/c1-21(29-27-17-9-15-25(19-27)23-11-5-3-6-12-23)22(2)30-28-18-10-16-26(20-28)24-13-7-4-8-14-24;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-20,29-30H,1-2H3;1-9H,13H2/b22-21-;
InChIKeyXTLYYXXNIFQMHS-SVXKRPBISA-N
MW576.72 g/mol
LogP10.65
Rot. Bonds7

About (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane

(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane (PubChem CID 143992589) has the molecular formula C40H37N2P and a molecular weight of 576.72 g/mol. Its IUPAC name is (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane.

Molecular Properties

Compound Name(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane
PubChem CID143992589
Molecular FormulaC40H37N2P
Molecular Weight576.72 g/mol
Exact Mass576.27
IUPAC Name(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane
SMILESC/C(Nc1cccc(-c2ccccc2)c1)=C(\C)Nc1cccc(-c2ccccc2)c1.Pc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H26N2.C12H11P/c1-21(29-27-17-9-15-25(19-27)23-11-5-3-6-12-23)22(2)30-28-18-10-16-26(20-28)24-13-7-4-8-14-24;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-20,29-30H,1-2H3;1-9H,13H2/b22-21-;
InChIKeyXTLYYXXNIFQMHS-SVXKRPBISA-N
XLogP10.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 510.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane?
The IUPAC name of (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane (CID 143992589) is (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane.
What is the SMILES notation for (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane?
The canonical SMILES for (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane is C/C(Nc1cccc(-c2ccccc2)c1)=C(\C)Nc1cccc(-c2ccccc2)c1.Pc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane?
The InChIKey is XTLYYXXNIFQMHS-SVXKRPBISA-N. The full InChI is InChI=1S/C28H26N2.C12H11P/c1-21(29-27-17-9-15-25(19-27)23-11-5-3-6-12-23)22(2)30-28-18-10-16-26(20-28)24-13-7-4-8-14-24;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-20,29-30H,1-2H3;1-9H,13H2/b22-21-;.
What are the key properties of (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane?
(Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane has a molecular weight of 576.72 g/mol, XLogP of 10.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N,3-N-bis(3-phenylphenyl)but-2-ene-2,3-diamine;(4-phenylphenyl)phosphane is sourced from PubChem (CID 143992589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).