N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine

C59H50N2 — CID 70885931

About N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 70885931) has the molecular formula C59H50N2 and a molecular weight of 787.06 g/mol. Its IUPAC name is N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
• PubChem CID: 70885931
• Molecular Formula: C59H50N2
• Molecular Weight: 787.06 g/mol
• Exact Mass: 786.40
• IUPAC Name: N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
• SMILES: CC1(C)c2cccc3c2N2c4c1cc(-c1ccccc1)cc4C(C)(C)c1cc(C4C=CC(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)=CC4)cc(c12)C3(C)C
• InChI: InChI=1S/C59H50N2/c1-57(2)48-21-14-22-49-54(48)61-55-50(57)33-43(37-15-8-7-9-16-37)34-52(55)59(5,6)53-36-44(35-51(56(53)61)58(49,3)4)40-23-27-45(28-24-40)60(46-29-25-38-17-10-12-19-41(38)31-46)47-30-26-39-18-11-13-20-42(39)32-47/h7-23,25-36,40H,24H2,1-6H3
• InChIKey: VTTYILOXFRLCQI-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.06
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

The IUPAC name of N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 70885931) is N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine.

What is the SMILES notation for N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

The canonical SMILES for N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine is CC1(C)c2cccc3c2N2c4c1cc(-c1ccccc1)cc4C(C)(C)c1cc(C4C=CC(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)=CC4)cc(c12)C3(C)C.

What is the InChIKey of N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

The InChIKey is VTTYILOXFRLCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N2/c1-57(2)48-21-14-22-49-54(48)61-55-50(57)33-43(37-15-8-7-9-16-37)34-52(55)59(5,6)53-36-44(35-51(56(53)61)58(49,3)4)40-23-27-45(28-24-40)60(46-29-25-38-17-10-12-19-41(38)31-46)47-30-26-39-18-11-13-20-42(39)32-47/h7-23,25-36,40H,24H2,1-6H3.

What are the key properties of N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine?

N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 787.06 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-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)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 70885931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).