N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene

C65H54N2 — CID 142324648

About N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene

N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene (PubChem CID 142324648) has the molecular formula C65H54N2 and a molecular weight of 863.16 g/mol. Its IUPAC name is N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene.

Molecular Properties

• Compound Name: N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene
• PubChem CID: 142324648
• Molecular Formula: C65H54N2
• Molecular Weight: 863.16 g/mol
• Exact Mass: 862.43
• IUPAC Name: N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene
• SMILES: C/C=C\C=C\C.C=C/C=C\C(C)=C\C.c1ccc(N(c2cccc(-c3ccc4c(c3)Cc3ccc5c(ccc6c5c5cccc7c8ccccc8n6c75)c3-4)c2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C51H32N2.C8H12.C6H10/c1-2-13-38(14-3-1)52(40-23-20-32-10-4-5-11-33(32)30-40)39-15-8-12-34(31-39)35-21-24-41-37(28-35)29-36-22-25-44-43(49(36)41)26-27-48-50(44)46-18-9-17-45-42-16-6-7-19-47(42)53(48)51(45)46;1-4-6-7-8(3)5-2;1-3-5-6-4-2/h1-28,30-31H,29H2;4-7H,1H2,2-3H3;3-6H,1-2H3/b;7-6-,8-5+;5-3-,6-4+
• InChIKey: CIBXCTRQFMDQJY-FZQGPYEDSA-N
• XLogP: 18.68
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.16
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene?

The IUPAC name of N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene (CID 142324648) is N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene.

What is the SMILES notation for N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene?

The canonical SMILES for N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene is C/C=C\C=C\C.C=C/C=C\C(C)=C\C.c1ccc(N(c2cccc(-c3ccc4c(c3)Cc3ccc5c(ccc6c5c5cccc7c8ccccc8n6c75)c3-4)c2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene?

The InChIKey is CIBXCTRQFMDQJY-FZQGPYEDSA-N. The full InChI is InChI=1S/C51H32N2.C8H12.C6H10/c1-2-13-38(14-3-1)52(40-23-20-32-10-4-5-11-33(32)30-40)39-15-8-12-34(31-39)35-21-24-41-37(28-35)29-36-22-25-44-43(49(36)41)26-27-48-50(44)46-18-9-17-45-42-16-6-7-19-47(42)53(48)51(45)46;1-4-6-7-8(3)5-2;1-3-5-6-4-2/h1-28,30-31H,29H2;4-7H,1H2,2-3H3;3-6H,1-2H3/b;7-6-,8-5+;5-3-,6-4+.

What are the key properties of N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene?

N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene has a molecular weight of 863.16 g/mol, XLogP of 18.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-10-yl)phenyl]-N-phenylnaphthalen-2-amine;(2Z,4E)-hexa-2,4-diene;(3Z,5E)-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 142324648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).