N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine

C87H66N4 — CID 89065312

About N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine

N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine (PubChem CID 89065312) has the molecular formula C87H66N4 and a molecular weight of 1167.51 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine
• PubChem CID: 89065312
• Molecular Formula: C87H66N4
• Molecular Weight: 1167.51 g/mol
• Exact Mass: 1166.53
• IUPAC Name: N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine
• SMILES: CC1(C)c2cc(-c3cccc4c(N(C5=CC=CCC5)c5ccccc5)cccc34)ccc2-n2c3ccc(-c4cccc5c4C=CCC5N(c4ccccc4)c4ccccc4)cc3c3cc(-c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)cc1c32
• InChI: InChI=1S/C87H66N4/c1-87(2)79-57-60(69-40-22-46-75-72(69)43-25-49-82(75)89(64-31-13-5-14-32-64)65-33-15-6-16-34-65)52-54-85(79)91-84-53-51-59(68-39-21-45-74-71(68)42-24-48-81(74)88(62-27-9-3-10-28-62)63-29-11-4-12-30-63)55-77(84)78-56-61(58-80(87)86(78)91)70-41-23-47-76-73(70)44-26-50-83(76)90(66-35-17-7-18-36-66)67-37-19-8-20-38-67/h3-15,17-33,35-47,49-58,81H,16,34,48H2,1-2H3
• InChIKey: GUXNABZKTSRKET-UHFFFAOYSA-N
• XLogP: 23.87
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.51
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine (CID 89065312) is N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine is CC1(C)c2cc(-c3cccc4c(N(C5=CC=CCC5)c5ccccc5)cccc34)ccc2-n2c3ccc(-c4cccc5c4C=CCC5N(c4ccccc4)c4ccccc4)cc3c3cc(-c4cccc5c(N(c6ccccc6)c6ccccc6)cccc45)cc1c32.

What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine?

The InChIKey is GUXNABZKTSRKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H66N4/c1-87(2)79-57-60(69-40-22-46-75-72(69)43-25-49-82(75)89(64-31-13-5-14-32-64)65-33-15-6-16-34-65)52-54-85(79)91-84-53-51-59(68-39-21-45-74-71(68)42-24-48-81(74)88(62-27-9-3-10-28-62)63-29-11-4-12-30-63)55-77(84)78-56-61(58-80(87)86(78)91)70-41-23-47-76-73(70)44-26-50-83(76)90(66-35-17-7-18-36-66)67-37-19-8-20-38-67/h3-15,17-33,35-47,49-58,81H,16,34,48H2,1-2H3.

What are the key properties of N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine?

N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 1167.51 g/mol, XLogP of 23.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-1,3-dien-1-yl-5-[13,13-dimethyl-5-[5-(N-phenylanilino)-5,6-dihydronaphthalen-1-yl]-10-[5-(N-phenylanilino)naphthalen-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-16-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 89065312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).