N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine

C65H41N3 — CID 164838079

About N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine

N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine (PubChem CID 164838079) has the molecular formula C65H41N3 and a molecular weight of 864.06 g/mol. Its IUPAC name is N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine
• PubChem CID: 164838079
• Molecular Formula: C65H41N3
• Molecular Weight: 864.06 g/mol
• Exact Mass: 863.33
• IUPAC Name: N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine
• SMILES: c1ccc(N2c3ccccc3-c3ccc4c(c3)C3(c5cc(N(c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6cccc7ccccc67)ccc5-4)c4ccccc4-c4cccc2c43)cc1
• InChI: InChI=1S/C65H41N3/c1-3-19-44(20-4-1)67-60-29-13-10-24-49(60)43-33-36-51-52-37-34-46(40-58(52)65(57(51)39-43)56-28-12-9-25-50(56)55-27-16-32-62(67)64(55)65)66(59-31-15-18-42-17-7-8-23-48(42)59)47-35-38-54-53-26-11-14-30-61(53)68(63(54)41-47)45-21-5-2-6-22-45/h1-41H
• InChIKey: YQFURYZQRVDYAQ-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.06
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine?

The IUPAC name of N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine (CID 164838079) is N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine.

What is the SMILES notation for N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine?

The canonical SMILES for N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine is c1ccc(N2c3ccccc3-c3ccc4c(c3)C3(c5cc(N(c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6cccc7ccccc67)ccc5-4)c4ccccc4-c4cccc2c43)cc1.

What is the InChIKey of N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine?

The InChIKey is YQFURYZQRVDYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3/c1-3-19-44(20-4-1)67-60-29-13-10-24-49(60)43-33-36-51-52-37-34-46(40-58(52)65(57(51)39-43)56-28-12-9-25-50(56)55-27-16-32-62(67)64(55)65)66(59-31-15-18-42-17-7-8-23-48(42)59)47-35-38-54-53-26-11-14-30-61(53)68(63(54)41-47)45-21-5-2-6-22-45/h1-41H.

What are the key properties of N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine?

N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine has a molecular weight of 864.06 g/mol, XLogP of 17.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine is sourced from PubChem (CID 164838079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).