8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine

C112H70N4O2 — CID 167276510

About 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine

8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine (PubChem CID 167276510) has the molecular formula C112H70N4O2 and a molecular weight of 1503.82 g/mol. Its IUPAC name is 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine.

Molecular Properties

• Compound Name: 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
• PubChem CID: 167276510
• Molecular Formula: C112H70N4O2
• Molecular Weight: 1503.82 g/mol
• Exact Mass: 1502.55
• IUPAC Name: 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
• SMILES: c1ccc(N(c2cccc3ccccc23)c2cc3c4cc(N(c5ccccc5)c5cccc6cc(-c7ccc8c(N(c9ccccc9)c9cc%10ccccc%10c%10ccccc9%10)cc9c%10cc(N(c%11ccccc%11)c%11cc%12ccccc%12c%12ccccc%11%12)c%11ccccc%11c%10oc9c8c7)ccc56)c5ccccc5c4oc3c3ccccc23)cc1
• InChI: InChI=1S/C112H70N4O2/c1-5-36-77(37-6-1)113(101-57-29-34-71-31-13-18-46-83(71)101)105-67-97-98-68-106(90-52-24-27-55-94(90)110(98)117-109(97)93-54-26-23-51-89(93)105)114(78-38-7-2-8-39-78)102-58-30-35-74-63-72(59-61-84(74)102)73-60-62-92-96(64-73)112-100(70-108(92)116(80-42-11-4-12-43-80)104-66-76-33-15-17-45-82(76)86-48-20-22-50-88(86)104)99-69-107(91-53-25-28-56-95(91)111(99)118-112)115(79-40-9-3-10-41-79)103-65-75-32-14-16-44-81(75)85-47-19-21-49-87(85)103/h1-70H
• InChIKey: UVDDGMQQWMHXBW-UHFFFAOYSA-N
• XLogP: 32.56
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.82
LogP ≤ 5	32.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

The IUPAC name of 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine (CID 167276510) is 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine.

What is the SMILES notation for 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

The canonical SMILES for 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine is c1ccc(N(c2cccc3ccccc23)c2cc3c4cc(N(c5ccccc5)c5cccc6cc(-c7ccc8c(N(c9ccccc9)c9cc%10ccccc%10c%10ccccc9%10)cc9c%10cc(N(c%11ccccc%11)c%11cc%12ccccc%12c%12ccccc%11%12)c%11ccccc%11c%10oc9c8c7)ccc56)c5ccccc5c4oc3c3ccccc23)cc1.

What is the InChIKey of 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

The InChIKey is UVDDGMQQWMHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H70N4O2/c1-5-36-77(37-6-1)113(101-57-29-34-71-31-13-18-46-83(71)101)105-67-97-98-68-106(90-52-24-27-55-94(90)110(98)117-109(97)93-54-26-23-51-89(93)105)114(78-38-7-2-8-39-78)102-58-30-35-74-63-72(59-61-84(74)102)73-60-62-92-96(64-73)112-100(70-108(92)116(80-42-11-4-12-43-80)104-66-76-33-15-17-45-82(76)86-48-20-22-50-88(86)104)99-69-107(91-53-25-28-56-95(91)111(99)118-112)115(79-40-9-3-10-41-79)103-65-75-32-14-16-44-81(75)85-47-19-21-49-87(85)103/h1-70H.

What are the key properties of 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine?

8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine has a molecular weight of 1503.82 g/mol, XLogP of 32.56, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(N-[20-(N-naphthalen-1-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)naphthalen-2-yl]-4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine is sourced from PubChem (CID 167276510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).