N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C194H121N3O5 — CID 158907256

About N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 158907256) has the molecular formula C194H121N3O5 and a molecular weight of 2574.12 g/mol. Its IUPAC name is N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 158907256
• Molecular Formula: C194H121N3O5
• Molecular Weight: 2574.12 g/mol
• Exact Mass: 2571.93
• IUPAC Name: N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)cc3)c2)cc1
• InChI: InChI=1S/2C70H43NO2.C54H35NO/c1-2-13-44(14-3-1)50-19-12-20-51(41-50)45-25-33-54(34-26-45)71(55-35-27-48(28-36-55)61-42-52-17-6-10-23-59(52)67-65-57-21-8-4-15-46(57)31-39-63(65)72-69(61)67)56-37-29-49(30-38-56)62-43-53-18-7-11-24-60(53)68-66-58-22-9-5-16-47(58)32-40-64(66)73-70(62)68;1-2-12-44(13-3-1)45-22-24-46(25-23-45)47-26-34-54(35-27-47)71(55-36-28-50(29-37-55)61-42-52-16-6-10-20-59(52)67-65-57-18-8-4-14-48(57)32-40-63(65)72-69(61)67)56-38-30-51(31-39-56)62-43-53-17-7-11-21-60(53)68-66-58-19-9-5-15-49(58)33-41-64(66)73-70(62)68;1-2-11-36(12-3-1)37-21-23-38(24-22-37)39-25-30-44(31-26-39)55(50-20-10-16-40-13-4-7-17-46(40)50)45-32-27-42(28-33-45)49-35-43-15-6-9-19-48(43)53-52-47-18-8-5-14-41(47)29-34-51(52)56-54(49)53/h2*1-43H;1-35H
• InChIKey: JGEUSWXHVRZKMQ-UHFFFAOYSA-N
• XLogP: 55.99
• TPSA: 75.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2574.12
LogP ≤ 5	55.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

The IUPAC name of N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 158907256) is N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

The canonical SMILES for N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)c4ccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)cc4)cc3)c2)cc1.

What is the InChIKey of N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

The InChIKey is JGEUSWXHVRZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H43NO2.C54H35NO/c1-2-13-44(14-3-1)50-19-12-20-51(41-50)45-25-33-54(34-26-45)71(55-35-27-48(28-36-55)61-42-52-17-6-10-23-59(52)67-65-57-21-8-4-15-46(57)31-39-63(65)72-69(61)67)56-37-29-49(30-38-56)62-43-53-18-7-11-24-60(53)68-66-58-22-9-5-16-47(58)32-40-64(66)73-70(62)68;1-2-12-44(13-3-1)45-22-24-46(25-23-45)47-26-34-54(35-27-47)71(55-36-28-50(29-37-55)61-42-52-16-6-10-20-59(52)67-65-57-18-8-4-14-48(57)32-40-63(65)72-69(61)67)56-38-30-51(31-39-56)62-43-53-17-7-11-21-60(53)68-66-58-19-9-5-15-49(58)33-41-64(66)73-70(62)68;1-2-11-36(12-3-1)37-21-23-38(24-22-37)39-25-30-44(31-26-39)55(50-20-10-16-40-13-4-7-17-46(40)50)45-32-27-42(28-33-45)49-35-43-15-6-9-19-48(43)53-52-47-18-8-5-14-41(47)29-34-51(52)56-54(49)53/h2*1-43H;1-35H.

What are the key properties of N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?

N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 2574.12 g/mol, XLogP of 55.99, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[4-(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-10-yl)phenyl]-4-(3-phenylphenyl)aniline;N,N-bis[4-(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-10-yl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(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-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 158907256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).