6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine

C88H69N3 — CID 89074525

About 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine

6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine (PubChem CID 89074525) has the molecular formula C88H69N3 and a molecular weight of 1168.54 g/mol. Its IUPAC name is 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine
• PubChem CID: 89074525
• Molecular Formula: C88H69N3
• Molecular Weight: 1168.54 g/mol
• Exact Mass: 1167.55
• IUPAC Name: 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine
• SMILES: C=C1/C2=C\C(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)=C/CC(C)(C)c3cccc4c3N1c1c(cc(-c3ccc5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc5c3)cc1C4(C)C)C2(C)C
• InChI: InChI=1S/C88H69N3/c1-56-77-53-67(61-39-41-65-51-69(45-43-62(65)49-61)90(80-35-16-25-57-21-8-12-29-71(57)80)81-36-17-26-58-22-9-13-30-72(58)81)47-48-86(2,3)75-33-20-34-76-84(75)89(56)85-78(87(76,4)5)54-68(55-79(85)88(77,6)7)64-40-42-66-52-70(46-44-63(66)50-64)91(82-37-18-27-59-23-10-14-31-73(59)82)83-38-19-28-60-24-11-15-32-74(60)83/h8-47,49-55H,1,48H2,2-7H3/b67-47+,77-53+
• InChIKey: UGWXFTAVEWOSSK-BLQHUJDKSA-N
• XLogP: 24.49
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.54
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine?

The IUPAC name of 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine (CID 89074525) is 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine.

What is the SMILES notation for 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine?

The canonical SMILES for 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine is C=C1/C2=C\C(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)=C/CC(C)(C)c3cccc4c3N1c1c(cc(-c3ccc5cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc5c3)cc1C4(C)C)C2(C)C.

What is the InChIKey of 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine?

The InChIKey is UGWXFTAVEWOSSK-BLQHUJDKSA-N. The full InChI is InChI=1S/C88H69N3/c1-56-77-53-67(61-39-41-65-51-69(45-43-62(65)49-61)90(80-35-16-25-57-21-8-12-29-71(57)80)81-36-17-26-58-22-9-13-30-72(58)81)47-48-86(2,3)75-33-20-34-76-84(75)89(56)85-78(87(76,4)5)54-68(55-79(85)88(77,6)7)64-40-42-66-52-70(46-44-63(66)50-64)91(82-37-18-27-59-23-10-14-31-73(59)82)83-38-19-28-60-24-11-15-32-74(60)83/h8-47,49-55H,1,48H2,2-7H3/b67-47+,77-53+.

What are the key properties of 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine?

6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine has a molecular weight of 1168.54 g/mol, XLogP of 24.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(16E,18Z)-5-[6-(dinaphthalen-1-ylamino)naphthalen-2-yl]-8,8,14,14,22,22-hexamethyl-20-methylidene-1-azapentacyclo[11.7.1.13,19.02,7.09,21]docosa-2(7),3,5,9,11,13(21),16,18-octaen-17-yl]-N,N-dinaphthalen-1-ylnaphthalen-2-amine is sourced from PubChem (CID 89074525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).