1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium

C64H67N7P2V — CID 157446933

IUPAC1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium
SMILESC/C=C/c1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2)cc1.CNc1ccc(Nc2ccc(Nc3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)[nH]4)[nH]3)[nH]2)[nH]1.PP.[V]
InChIInChI=1S/C26H24.C20H21N3.C18H18N4.H4P2.V/c1-3-4-22-9-11-24(12-10-22)15-16-26-19-17-25(18-20-26)14-13-23-7-5-21(2)6-8-23;1-15-3-5-17(6-4-15)22-19-11-13-20(14-12-19)23-18-9-7-16(21-2)8-10-18;1-11-3-5-13(19-11)15-7-9-17(21-15)18-10-8-16(22-18)14-6-4-12(2)20-14;1-2;/h3-20H,1-2H3;3-14,21-23H,1-2H3;3-10,19-22H,1-2H3;1-2H2;/b4-3+,14-13+,16-15+;;;;
InChIKeyPVMXSTDFRDMYII-KOWRYNEUSA-N
MW1047.18 g/mol
LogP18.16
Rot. Bonds13

About 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium

1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium (PubChem CID 157446933) has the molecular formula C64H67N7P2V and a molecular weight of 1047.18 g/mol. Its IUPAC name is 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium.

Molecular Properties

Compound Name1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium
PubChem CID157446933
Molecular FormulaC64H67N7P2V
Molecular Weight1047.18 g/mol
Exact Mass1046.44
IUPAC Name1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium
SMILESC/C=C/c1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2)cc1.CNc1ccc(Nc2ccc(Nc3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)[nH]4)[nH]3)[nH]2)[nH]1.PP.[V]
InChIInChI=1S/C26H24.C20H21N3.C18H18N4.H4P2.V/c1-3-4-22-9-11-24(12-10-22)15-16-26-19-17-25(18-20-26)14-13-23-7-5-21(2)6-8-23;1-15-3-5-17(6-4-15)22-19-11-13-20(14-12-19)23-18-9-7-16(21-2)8-10-18;1-11-3-5-13(19-11)15-7-9-17(21-15)18-10-8-16(22-18)14-6-4-12(2)20-14;1-2;/h3-20H,1-2H3;3-14,21-23H,1-2H3;3-10,19-22H,1-2H3;1-2H2;/b4-3+,14-13+,16-15+;;;;
InChIKeyPVMXSTDFRDMYII-KOWRYNEUSA-N
XLogP18.16
TPSA99.25 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.18
LogP ≤ 518.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 158414856
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
but-2-ene;N,4-dimethylaniline;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;methane;1-methyl-4-prop-1-enylbenzene;2-methyl-5-prop-1-enylthiophene;1,4-xylene
CID 161296420
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
CID 67605326
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
N-methyl-4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]aniline
CID 25211761
N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine
CID 143237401

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium?
The IUPAC name of 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium (CID 157446933) is 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium.
What is the SMILES notation for 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium?
The canonical SMILES for 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium is C/C=C/c1ccc(/C=C/c2ccc(/C=C/c3ccc(C)cc3)cc2)cc1.CNc1ccc(Nc2ccc(Nc3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)[nH]4)[nH]3)[nH]2)[nH]1.PP.[V].
What is the InChIKey of 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium?
The InChIKey is PVMXSTDFRDMYII-KOWRYNEUSA-N. The full InChI is InChI=1S/C26H24.C20H21N3.C18H18N4.H4P2.V/c1-3-4-22-9-11-24(12-10-22)15-16-26-19-17-25(18-20-26)14-13-23-7-5-21(2)6-8-23;1-15-3-5-17(6-4-15)22-19-11-13-20(14-12-19)23-18-9-7-16(21-2)8-10-18;1-11-3-5-13(19-11)15-7-9-17(21-15)18-10-8-16(22-18)14-6-4-12(2)20-14;1-2;/h3-20H,1-2H3;3-14,21-23H,1-2H3;3-10,19-22H,1-2H3;1-2H2;/b4-3+,14-13+,16-15+;;;;.
What are the key properties of 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium?
1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium has a molecular weight of 1047.18 g/mol, XLogP of 18.16, 13 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[4-(4-methylanilino)phenyl]benzene-1,4-diamine;2-methyl-5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-1H-pyrrol-2-yl]-1H-pyrrole;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;phosphanylphosphane;vanadium is sourced from PubChem (CID 157446933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).