9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine

C104H124N2 — CID 146343332

About 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine

9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine (PubChem CID 146343332) has the molecular formula C104H124N2 and a molecular weight of 1402.15 g/mol. Its IUPAC name is 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine.

Molecular Properties

• Compound Name: 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine
• PubChem CID: 146343332
• Molecular Formula: C104H124N2
• Molecular Weight: 1402.15 g/mol
• Exact Mass: 1400.98
• IUPAC Name: 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine
• SMILES: C=C/C=C\C=C(/C)C1=C(/C=C(\C)N(c2ccccc2)c2ccccc2)C(C)(C)c2cc3c(cc21)C(CCCCCCCC)(CCCCCCCC)c1cc2c(cc1-3)C(CCCCCCCC)(CCCCCCCC)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3
• InChI: InChI=1S/C104H124N2/c1-12-17-22-26-30-49-64-103(65-50-31-27-23-18-13-2)92-72-87-85-70-91-89(100-83-63-48-47-62-82(83)98(75-97(100)102(91,10)11)106(80-58-43-36-44-59-80)81-60-45-37-46-61-81)74-95(85)104(66-51-32-28-24-19-14-3,67-52-33-29-25-20-15-4)93(87)71-86(92)84-69-90-88(73-94(84)103)99(76(6)53-38-21-16-5)96(101(90,8)9)68-77(7)105(78-54-39-34-40-55-78)79-56-41-35-42-57-79/h16,21,34-48,53-63,68-75H,5,12-15,17-20,22-33,49-52,64-67H2,1-4,6-11H3/b38-21-,76-53+,77-68+
• InChIKey: JRSRDDWKCMGYSU-BSVCPYAQSA-N
• XLogP: 31.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 38
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1402.15
LogP ≤ 5	31.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine?

The IUPAC name of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine (CID 146343332) is 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine.

What is the SMILES notation for 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine?

The canonical SMILES for 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine is C=C/C=C\C=C(/C)C1=C(/C=C(\C)N(c2ccccc2)c2ccccc2)C(C)(C)c2cc3c(cc21)C(CCCCCCCC)(CCCCCCCC)c1cc2c(cc1-3)C(CCCCCCCC)(CCCCCCCC)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3.

What is the InChIKey of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine?

The InChIKey is JRSRDDWKCMGYSU-BSVCPYAQSA-N. The full InChI is InChI=1S/C104H124N2/c1-12-17-22-26-30-49-64-103(65-50-31-27-23-18-13-2)92-72-87-85-70-91-89(100-83-63-48-47-62-82(83)98(75-97(100)102(91,10)11)106(80-58-43-36-44-59-80)81-60-45-37-46-61-81)74-95(85)104(66-51-32-28-24-19-14-3,67-52-33-29-25-20-15-4)93(87)71-86(92)84-69-90-88(73-94(84)103)99(76(6)53-38-21-16-5)96(101(90,8)9)68-77(7)105(78-54-39-34-40-55-78)79-56-41-35-42-57-79/h16,21,34-48,53-63,68-75H,5,12-15,17-20,22-33,49-52,64-67H2,1-4,6-11H3/b38-21-,76-53+,77-68+.

What are the key properties of 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine?

9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine has a molecular weight of 1402.15 g/mol, XLogP of 31.63, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-11,11,32,32-tetramethyl-5,5,18,18-tetraoctyl-N,N-diphenyl-10-[(E)-2-(N-phenylanilino)prop-1-enyl]nonacyclo[17.15.0.02,17.04,15.06,14.08,12.021,33.022,31.023,28]tetratriaconta-1(34),2(17),3,6,8(12),9,13,15,19,21(33),22(31),23,25,27,29-pentadecaen-29-amine is sourced from PubChem (CID 146343332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).