(13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine

C67H70N2O — CID 155458022

About (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine

(13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine (PubChem CID 155458022) has the molecular formula C67H70N2O and a molecular weight of 919.31 g/mol. Its IUPAC name is (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine.

Molecular Properties

• Compound Name: (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine
• PubChem CID: 155458022
• Molecular Formula: C67H70N2O
• Molecular Weight: 919.31 g/mol
• Exact Mass: 918.55
• IUPAC Name: (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine
• SMILES: C=C1/C(=C\C(=C/C)N(c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2C)C(C)(C)c2c3c(c4c(oc5ccccc54)c21)-c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2C)cc1C3(C)C
• InChI: InChI=1S/C67H70N2O/c1-17-47(68(55-34-22-40(2)36-42(55)4)48-28-24-45(25-29-48)64(7,8)9)38-53-44(6)58-61(66(53,13)14)62-59(60-52-20-18-19-21-57(52)70-63(58)60)51-33-32-50(39-54(51)67(62,15)16)69(56-35-23-41(3)37-43(56)5)49-30-26-46(27-31-49)65(10,11)12/h17-39H,6H2,1-5,7-16H3/b47-17+,53-38+
• InChIKey: VDVCZQIDDJYXPH-XNUFNLJZSA-N
• XLogP: 19.16
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.31
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine?

The IUPAC name of (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine (CID 155458022) is (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine.

What is the SMILES notation for (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine?

The canonical SMILES for (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine is C=C1/C(=C\C(=C/C)N(c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2C)C(C)(C)c2c3c(c4c(oc5ccccc54)c21)-c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2C)cc1C3(C)C.

What is the InChIKey of (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine?

The InChIKey is VDVCZQIDDJYXPH-XNUFNLJZSA-N. The full InChI is InChI=1S/C67H70N2O/c1-17-47(68(55-34-22-40(2)36-42(55)4)48-28-24-45(25-29-48)64(7,8)9)38-53-44(6)58-61(66(53,13)14)62-59(60-52-20-18-19-21-57(52)70-63(58)60)51-33-32-50(39-54(51)67(62,15)16)69(56-35-23-41(3)37-43(56)5)49-30-26-46(27-31-49)65(10,11)12/h17-39H,6H2,1-5,7-16H3/b47-17+,53-38+.

What are the key properties of (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine?

(13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine has a molecular weight of 919.31 g/mol, XLogP of 19.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (13Z)-13-[(E)-2-(4-tert-butyl-N-(2,4-dimethylphenyl)anilino)but-2-enylidene]-N-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-14,14,17,17-tetramethyl-12-methylidene-9-oxahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-1,3,5,7,10,15,18(23),19,21-nonaen-20-amine is sourced from PubChem (CID 155458022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).