N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine

C182H118N12 — CID 162191743

About N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine

N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine (PubChem CID 162191743) has the molecular formula C182H118N12 and a molecular weight of 2473.03 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
• PubChem CID: 162191743
• Molecular Formula: C182H118N12
• Molecular Weight: 2473.03 g/mol
• Exact Mass: 2470.96
• IUPAC Name: N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4n4c6ccccc6c6c7ccccc7n5c64)cc3)cccc2c1
• InChI: InChI=1S/C48H31N3.C46H29N3.2C44H29N3/c1-2-12-32(13-3-1)33-24-28-36(29-25-33)49(37-30-26-35(27-31-37)39-19-10-15-34-14-4-5-16-38(34)39)44-22-11-23-45-47(44)51-43-21-9-7-18-41(43)46-40-17-6-8-20-42(40)50(45)48(46)51;1-3-16-34-30(12-1)14-9-20-35(34)32-26-28-33(29-27-32)47(39-23-10-15-31-13-2-4-17-36(31)39)42-24-11-25-43-45(42)49-41-22-8-6-19-38(41)44-37-18-5-7-21-40(37)48(43)46(44)49;1-3-14-30(15-4-1)31-26-28-33(29-27-31)45(37-21-10-7-18-34(37)32-16-5-2-6-17-32)40-24-13-25-41-43(40)47-39-23-12-9-20-36(39)42-35-19-8-11-22-38(35)46(41)44(42)47;1-3-13-30(14-4-1)32-25-27-34(28-26-32)45(35-18-11-17-33(29-35)31-15-5-2-6-16-31)40-23-12-24-41-43(40)47-39-22-10-8-20-37(39)42-36-19-7-9-21-38(36)46(41)44(42)47/h1-31H;1-29H;2*1-29H
• InChIKey: ZQJYOWUYVHRDHR-UHFFFAOYSA-N
• XLogP: 49.37
• TPSA: 48.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2473.03
LogP ≤ 5	49.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

The IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine (CID 162191743) is N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

The canonical SMILES for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)cc2)cc1.c1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4n4c6ccccc6c6c7ccccc7n5c64)cc3)cccc2c1.

What is the InChIKey of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

The InChIKey is ZQJYOWUYVHRDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C46H29N3.2C44H29N3/c1-2-12-32(13-3-1)33-24-28-36(29-25-33)49(37-30-26-35(27-31-37)39-19-10-15-34-14-4-5-16-38(34)39)44-22-11-23-45-47(44)51-43-21-9-7-18-41(43)46-40-17-6-8-20-42(40)50(45)48(46)51;1-3-16-34-30(12-1)14-9-20-35(34)32-26-28-33(29-27-32)47(39-23-10-15-31-13-2-4-17-36(31)39)42-24-11-25-43-45(42)49-41-22-8-6-19-38(41)44-37-18-5-7-21-40(37)48(43)46(44)49;1-3-14-30(15-4-1)31-26-28-33(29-27-31)45(37-21-10-7-18-34(37)32-16-5-2-6-17-32)40-24-13-25-41-43(40)47-39-23-12-9-20-36(39)42-35-19-8-11-22-38(35)46(41)44(42)47;1-3-13-30(14-4-1)32-25-27-34(28-26-32)45(35-18-11-17-33(29-35)31-15-5-2-6-16-31)40-23-12-24-41-43(40)47-39-22-10-8-20-37(39)42-36-19-7-9-21-38(36)46(41)44(42)47/h1-31H;1-29H;2*1-29H.

What are the key properties of N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine?

N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine has a molecular weight of 2473.03 g/mol, XLogP of 49.37, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine is sourced from PubChem (CID 162191743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).