N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline

C202H136N12 — CID 158362399

About N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline

N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 158362399) has the molecular formula C202H136N12 and a molecular weight of 2731.39 g/mol. Its IUPAC name is N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 158362399
• Molecular Formula: C202H136N12
• Molecular Weight: 2731.39 g/mol
• Exact Mass: 2729.10
• IUPAC Name: N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4c4c3ccc3c4c4ccccc4n3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/2C55H37N3.C49H33N3.C43H29N3/c1-4-16-38(17-5-1)41-20-14-24-45(36-41)57(46-25-15-21-42(37-46)39-18-6-2-7-19-39)44-32-30-40(31-33-44)55-49-34-35-52-54(53(49)47-26-10-12-28-50(47)56-55)48-27-11-13-29-51(48)58(52)43-22-8-3-9-23-43;1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-42(29-35-46)55-49-36-37-52-54(53(49)47-20-10-12-22-50(47)56-55)48-21-11-13-23-51(48)58(52)43-18-8-3-9-19-43;1-4-14-34(15-5-1)35-24-28-39(29-25-35)51(37-16-6-2-7-17-37)40-30-26-36(27-31-40)49-43-32-33-46-48(47(43)41-20-10-12-22-44(41)50-49)42-21-11-13-23-45(42)52(46)38-18-8-3-9-19-38;1-4-14-31(15-5-1)45(32-16-6-2-7-17-32)34-26-24-30(25-27-34)43-37-28-29-40-42(41(37)35-20-10-12-22-38(35)44-43)36-21-11-13-23-39(36)46(40)33-18-8-3-9-19-33/h2*1-37H;1-33H;1-29H
• InChIKey: GTPYZZDLORZOAN-UHFFFAOYSA-N
• XLogP: 54.82
• TPSA: 84.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2731.39
LogP ≤ 5	54.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 158362399) is N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4nc5ccccc5c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccccc4c4c3ccc3c4c4ccccc4n3-c3ccccc3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is GTPYZZDLORZOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H37N3.C49H33N3.C43H29N3/c1-4-16-38(17-5-1)41-20-14-24-45(36-41)57(46-25-15-21-42(37-46)39-18-6-2-7-19-39)44-32-30-40(31-33-44)55-49-34-35-52-54(53(49)47-26-10-12-28-50(47)56-55)48-27-11-13-29-51(48)58(52)43-22-8-3-9-23-43;1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-42(29-35-46)55-49-36-37-52-54(53(49)47-20-10-12-22-50(47)56-55)48-21-11-13-23-51(48)58(52)43-18-8-3-9-19-43;1-4-14-34(15-5-1)35-24-28-39(29-25-35)51(37-16-6-2-7-17-37)40-30-26-36(27-31-40)49-43-32-33-46-48(47(43)41-20-10-12-22-44(41)50-49)42-21-11-13-23-45(42)52(46)38-18-8-3-9-19-38;1-4-14-31(15-5-1)45(32-16-6-2-7-17-32)34-26-24-30(25-27-34)43-37-28-29-40-42(41(37)35-20-10-12-22-38(35)44-43)36-21-11-13-23-39(36)46(40)33-18-8-3-9-19-33/h2*1-37H;1-33H;1-29H.

What are the key properties of N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?

N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 2731.39 g/mol, XLogP of 54.82, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)aniline;N,4-diphenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]aniline;3-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(3-phenylphenyl)aniline;4-phenyl-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158362399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).