1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine

C68H63N3 — CID 166923451

IUPAC1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine
SMILESC=CC1=C(/C=C(\C)N(c2ccc(C)cc2)c2ccc(C)cc2)C2(C(C)=C(/C=C\C)c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc21
InChIInChI=1S/C68H63N3/c1-11-13-62-52(10)68(67-44-60(39-41-64(62)67)71(57-34-22-49(7)23-35-57)58-36-24-50(8)25-37-58)65(42-51(9)69(53-26-14-45(3)15-27-53)54-28-16-46(4)17-29-54)61(12-2)63-40-38-59(43-66(63)68)70(55-30-18-47(5)19-31-55)56-32-20-48(6)21-33-56/h11-44H,2H2,1,3-10H3/b13-11-,51-42+
InChIKeyRCADRWLUBBLICD-XHKIMSABSA-N
MW922.27 g/mol
LogP18.82
Rot. Bonds12

About 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine

1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine (PubChem CID 166923451) has the molecular formula C68H63N3 and a molecular weight of 922.27 g/mol. Its IUPAC name is 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine.

Molecular Properties

Compound Name1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine
PubChem CID166923451
Molecular FormulaC68H63N3
Molecular Weight922.27 g/mol
Exact Mass921.50
IUPAC Name1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine
SMILESC=CC1=C(/C=C(\C)N(c2ccc(C)cc2)c2ccc(C)cc2)C2(C(C)=C(/C=C\C)c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc21
InChIInChI=1S/C68H63N3/c1-11-13-62-52(10)68(67-44-60(39-41-64(62)67)71(57-34-22-49(7)23-35-57)58-36-24-50(8)25-37-58)65(42-51(9)69(53-26-14-45(3)15-27-53)54-28-16-46(4)17-29-54)61(12-2)63-40-38-59(43-66(63)68)70(55-30-18-47(5)19-31-55)56-32-20-48(6)21-33-56/h11-44H,2H2,1,3-10H3/b13-11-,51-42+
InChIKeyRCADRWLUBBLICD-XHKIMSABSA-N
XLogP18.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.27
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine with MolForge

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Related Compounds

2-N'-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134360445
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-(2,4-dimethylphenyl)-N-(2-ethynyl-4-methylphenyl)-2'-methyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 155330682
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645
1-ethenyl-3,3-dimethyl-N-[4-[3-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]inden-5-amine
CID 144725239
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[1-ethenyl-3,3-dimethyl-2-[(E)-2-(N-phenylanilino)prop-1-enyl]inden-5-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 166881221
4-N-[4-(1-but-2-en-2-yl-3-ethenyl-2-methylinden-1-yl)phenyl]-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 123690514
N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
CID 134491053
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080

Frequently Asked Questions

What is the IUPAC name of 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine?
The IUPAC name of 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine (CID 166923451) is 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine.
What is the SMILES notation for 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine?
The canonical SMILES for 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine is C=CC1=C(/C=C(\C)N(c2ccc(C)cc2)c2ccc(C)cc2)C2(C(C)=C(/C=C\C)c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc21.
What is the InChIKey of 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine?
The InChIKey is RCADRWLUBBLICD-XHKIMSABSA-N. The full InChI is InChI=1S/C68H63N3/c1-11-13-62-52(10)68(67-44-60(39-41-64(62)67)71(57-34-22-49(7)23-35-57)58-36-24-50(8)25-37-58)65(42-51(9)69(53-26-14-45(3)15-27-53)54-28-16-46(4)17-29-54)61(12-2)63-40-38-59(43-66(63)68)70(55-30-18-47(5)19-31-55)56-32-20-48(6)21-33-56/h11-44H,2H2,1,3-10H3/b13-11-,51-42+.
What are the key properties of 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine?
1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine has a molecular weight of 922.27 g/mol, XLogP of 18.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethenyl-2-methyl-2'-[(E)-2-(4-methyl-N-(4-methylphenyl)anilino)prop-1-enyl]-5-N,5-N,5-N',5-N'-tetrakis(4-methylphenyl)-1-[(Z)-prop-1-enyl]-3,3'-spirobi[indene]-5,5'-diamine is sourced from PubChem (CID 166923451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).