N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C74H46N2O2 — CID 153468639

About N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 153468639) has the molecular formula C74H46N2O2 and a molecular weight of 995.19 g/mol. Its IUPAC name is N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

• Compound Name: N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• PubChem CID: 153468639
• Molecular Formula: C74H46N2O2
• Molecular Weight: 995.19 g/mol
• Exact Mass: 994.36
• IUPAC Name: N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)cc3)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C74H46N2O2/c1-3-17-47(18-4-1)48-31-37-53(38-32-48)75(65-45-69-73(62-29-15-13-27-60(62)65)71-56-23-9-7-19-49(56)35-43-67(71)77-69)54-39-33-51(34-40-54)55-41-42-64(59-26-12-11-25-58(55)59)76(52-21-5-2-6-22-52)66-46-70-74(63-30-16-14-28-61(63)66)72-57-24-10-8-20-50(57)36-44-68(72)78-70/h1-46H
• InChIKey: PHTYIBDDPDZVOI-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.19
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The IUPAC name of N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 153468639) is N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

What is the SMILES notation for N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The canonical SMILES for N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5cc6oc7ccc8ccccc8c7c6c6ccccc56)c5ccccc45)cc3)c3cc4oc5ccc6ccccc6c5c4c4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The InChIKey is PHTYIBDDPDZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2O2/c1-3-17-47(18-4-1)48-31-37-53(38-32-48)75(65-45-69-73(62-29-15-13-27-60(62)65)71-56-23-9-7-19-49(56)35-43-67(71)77-69)54-39-33-51(34-40-54)55-41-42-64(59-26-12-11-25-58(55)59)76(52-21-5-2-6-22-52)66-46-70-74(63-30-16-14-28-61(63)66)72-57-24-10-8-20-50(57)36-44-68(72)78-70/h1-46H.

What are the key properties of N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 995.19 g/mol, XLogP of 21.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 153468639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).