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)phenyl]-N-phenylnaphthalen-1-amine

C55H46N2 — CID 70885924

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)phenyl]-N-phenylnaphthalen-1-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)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 70885924) has the molecular formula C55H46N2 and a molecular weight of 734.99 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)phenyl]-N-phenylnaphthalen-1-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)phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 70885924
• Molecular Formula: C55H46N2
• Molecular Weight: 734.99 g/mol
• Exact Mass: 734.37
• 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)phenyl]-N-phenylnaphthalen-1-amine
• SMILES: CC1(C)c2cccc3c2N2c4c1cc(-c1ccccc1)cc4C(C)(C)c1cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc(c12)C3(C)C
• InChI: InChI=1S/C55H46N2/c1-53(2)43-24-16-25-44-50(43)57-51-45(53)31-38(35-17-9-7-10-18-35)32-47(51)55(5,6)48-34-39(33-46(52(48)57)54(44,3)4)36-27-29-41(30-28-36)56(40-21-11-8-12-22-40)49-26-15-20-37-19-13-14-23-42(37)49/h7-34H,1-6H3
• InChIKey: YDJFEKGTKHUHNE-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.99
LogP ≤ 5	15.03
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)phenyl]-N-phenylnaphthalen-1-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)phenyl]-N-phenylnaphthalen-1-amine (CID 70885924) 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)phenyl]-N-phenylnaphthalen-1-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)phenyl]-N-phenylnaphthalen-1-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)phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2cccc3c2N2c4c1cc(-c1ccccc1)cc4C(C)(C)c1cc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)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)phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is YDJFEKGTKHUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2/c1-53(2)43-24-16-25-44-50(43)57-51-45(53)31-38(35-17-9-7-10-18-35)32-47(51)55(5,6)48-34-39(33-46(52(48)57)54(44,3)4)36-27-29-41(30-28-36)56(40-21-11-8-12-22-40)49-26-15-20-37-19-13-14-23-42(37)49/h7-34H,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)phenyl]-N-phenylnaphthalen-1-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)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 734.99 g/mol, XLogP of 15.03, 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)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 70885924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).