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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene

C102H65N7 — CID 162126516

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene (PubChem CID 162126516) has the molecular formula C102H65N7 and a molecular weight of 1388.69 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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene.

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene
• PubChem CID: 162126516
• Molecular Formula: C102H65N7
• Molecular Weight: 1388.69 g/mol
• Exact Mass: 1387.53
• 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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c(-c5ccccc5)c5c6c(cccc64)-c4cccc6c4c4c-5cccc4n6-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c(-c3ccccc3)c3c4c(cccc42)-c2cccc4c2c2c-3cccc2n4-c2ccccc2)cc1
• InChI: InChI=1S/C56H37N3.C46H28N4/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;1-4-15-29(16-5-1)44-46(48-36-25-11-10-24-35(36)47-44)50-39-28-13-22-33-32-21-12-26-37-40(32)42-34(43(41(33)39)45(50)30-17-6-2-7-18-30)23-14-27-38(42)49(37)31-19-8-3-9-20-31/h1-37H;1-28H
• InChIKey: ZICIRJHOJOVQDC-UHFFFAOYSA-N
• XLogP: 26.83
• TPSA: 48.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1388.69
LogP ≤ 5	26.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene?

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene (CID 162126516) 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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene.

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene?

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c(-c5ccccc5)c5c6c(cccc64)-c4cccc6c4c4c-5cccc4n6-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c(-c3ccccc3)c3c4c(cccc42)-c2cccc4c2c2c-3cccc2n4-c2ccccc2)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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene?

The InChIKey is ZICIRJHOJOVQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3.C46H28N4/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;1-4-15-29(16-5-1)44-46(48-36-25-11-10-24-35(36)47-44)50-39-28-13-22-33-32-21-12-26-37-40(32)42-34(43(41(33)39)45(50)30-17-6-2-7-18-30)23-14-27-38(42)49(37)31-19-8-3-9-20-31/h1-37H;1-28H.

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene?

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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene has a molecular weight of 1388.69 g/mol, XLogP of 26.83, 11 rotatable bonds, 0 hydrogen bond donors, and 7 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;15,22-diphenyl-16-(3-phenylquinoxalin-2-yl)-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-decaene is sourced from PubChem (CID 162126516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).