4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine

C53H44N2 — CID 70885891

About 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine

4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine (PubChem CID 70885891) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
• PubChem CID: 70885891
• Molecular Formula: C53H44N2
• Molecular Weight: 708.95 g/mol
• Exact Mass: 708.35
• IUPAC Name: 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
• SMILES: CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)c5ccccc45)cc(c12)C3(C)C
• InChI: InChI=1S/C53H44N2/c1-51(2)40-24-15-26-42-48(40)55-49-41(51)25-16-27-43(49)53(5,6)45-32-34(31-44(50(45)55)52(42,3)4)36-29-30-47(39-23-13-12-22-38(36)39)54(35-19-8-7-9-20-35)46-28-14-18-33-17-10-11-21-37(33)46/h7-32H,1-6H3
• InChIKey: PJPMNVMXFVZECI-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.95
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

The IUPAC name of 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine (CID 70885891) is 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine.

What is the SMILES notation for 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

The canonical SMILES for 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine is CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)c5ccccc45)cc(c12)C3(C)C.

What is the InChIKey of 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

The InChIKey is PJPMNVMXFVZECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2/c1-51(2)40-24-15-26-42-48(40)55-49-41(51)25-16-27-43(49)53(5,6)45-32-34(31-44(50(45)55)52(42,3)4)36-29-30-47(39-23-13-12-22-38(36)39)54(35-19-8-7-9-20-35)46-28-14-18-33-17-10-11-21-37(33)46/h7-32H,1-6H3.

What are the key properties of 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine?

4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine has a molecular weight of 708.95 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 70885891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).