N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

C136H87N5 — CID 158852799

About N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene

N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (PubChem CID 158852799) has the molecular formula C136H87N5 and a molecular weight of 1791.23 g/mol. Its IUPAC name is N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

Molecular Properties

• Compound Name: N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• PubChem CID: 158852799
• Molecular Formula: C136H87N5
• Molecular Weight: 1791.23 g/mol
• Exact Mass: 1789.70
• IUPAC Name: N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c(-c5ccccc5)c5c6c(cccc64)-c4cccc6c4c4c-5cccc4n6-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)cc2)cc1.c1ccc(-c2ccccc2-c2cccc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)c2)cc1
• InChI: InChI=1S/C56H37N3.2C40H25N/c1-5-16-38(17-6-1)39-30-32-43(33-31-39)57(41-20-9-3-10-21-41)44-34-36-45(37-35-44)59-51-29-14-25-47-46-24-13-27-49-52(46)54-48(55(53(47)51)56(59)40-18-7-2-8-19-40)26-15-28-50(54)58(49)42-22-11-4-12-23-42;1-2-11-26(12-3-1)30-16-4-5-17-31(30)28-14-8-15-29(25-28)41-36-22-10-21-35-33-19-7-6-18-32(33)34-20-9-13-27-23-24-37(41)40(38(27)34)39(35)36;1-2-10-26(11-3-1)30-13-4-5-14-31(30)27-20-23-29(24-21-27)41-36-19-9-18-35-33-16-7-6-15-32(33)34-17-8-12-28-22-25-37(41)40(38(28)34)39(35)36/h1-37H;2*1-25H
• InChIKey: IZRCWBWJSNOQKF-UHFFFAOYSA-N
• XLogP: 37.02
• TPSA: 22.96 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1791.23
LogP ≤ 5	37.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The IUPAC name of N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene (CID 158852799) is N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene.

What is the SMILES notation for N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The canonical SMILES for N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c(-c5ccccc5)c5c6c(cccc64)-c4cccc6c4c4c-5cccc4n6-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)cc2)cc1.c1ccc(-c2ccccc2-c2cccc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)c2)cc1.

What is the InChIKey of N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

The InChIKey is IZRCWBWJSNOQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3.2C40H25N/c1-5-16-38(17-6-1)39-30-32-43(33-31-39)57(41-20-9-3-10-21-41)44-34-36-45(37-35-44)59-51-29-14-25-47-46-24-13-27-49-52(46)54-48(55(53(47)51)56(59)40-18-7-2-8-19-40)26-15-28-50(54)58(49)42-22-11-4-12-23-42;1-2-11-26(12-3-1)30-16-4-5-17-31(30)28-14-8-15-29(25-28)41-36-22-10-21-35-33-19-7-6-18-32(33)34-20-9-13-27-23-24-37(41)40(38(27)34)39(35)36;1-2-10-26(11-3-1)30-13-4-5-14-31(30)27-20-23-29(24-21-27)41-36-19-9-18-35-33-16-7-6-15-32(33)34-17-8-12-28-22-25-37(41)40(38(28)34)39(35)36/h1-37H;2*1-25H.

What are the key properties of N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene?

N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene has a molecular weight of 1791.23 g/mol, XLogP of 37.02, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(15,22-diphenyl-16,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(21),2(7),3,5,8(13),9,11,14,17,19-decaen-16-yl)phenyl]-N,4-diphenylaniline;23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;23-[4-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene is sourced from PubChem (CID 158852799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).