N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C244H158N8O2 — CID 162136452

About N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 162136452) has the molecular formula C244H158N8O2 and a molecular weight of 3234.00 g/mol. Its IUPAC name is N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
• PubChem CID: 162136452
• Molecular Formula: C244H158N8O2
• Molecular Weight: 3234.00 g/mol
• Exact Mass: 3231.25
• IUPAC Name: N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7c7c(c(-c8ccccc8)c8ccccn87)c6c5)cc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6c(c(-c7ccccc7)c7ccccn76)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c(-c5ccc6c7ccccc7c7c(c(-c8ccccc8)c8ccccn87)c6c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5c(ccc6cc(-c7ccc8c9ccccc9c9c(c(-c%10ccccc%10)c%10ccccn%109)c8c7)ccc65)c4)cccc23)cc1
• InChI: InChI=1S/C66H42N2O.C64H40N2O.C60H40N2.C54H36N2/c1-3-13-43(14-4-1)45-26-32-51(33-27-45)68(53-36-38-58-62(42-53)69-61-39-31-48-15-7-8-18-54(48)64(58)61)52-34-28-46(29-35-52)44-22-24-47(25-23-44)50-30-37-56-55-19-9-10-20-57(55)66-65(59(56)41-50)63(49-16-5-2-6-17-49)60-21-11-12-40-67(60)66;1-4-16-41(17-5-1)51-24-14-25-55-56-26-15-28-59(64(56)67-63(51)55)66(47-20-8-3-9-21-47)48-33-36-50-46(39-48)30-29-45-38-43(31-34-49(45)50)44-32-35-53-52-22-10-11-23-54(52)62-61(57(53)40-44)60(42-18-6-2-7-19-42)58-27-12-13-37-65(58)62;1-4-18-41(19-5-1)42-33-36-46(37-34-42)62(55-30-13-12-24-48(55)43-20-6-2-7-21-43)56-32-17-28-49-47(27-16-29-52(49)56)45-35-38-51-50-25-10-11-26-53(50)60-59(54(51)40-45)58(44-22-8-3-9-23-44)57-31-14-15-39-61(57)60;1-3-14-37(15-4-1)39-25-29-44(30-26-39)56(46-31-27-38-16-7-8-19-41(38)34-46)45-21-13-20-42(35-45)43-28-32-48-47-22-9-10-23-49(47)54-53(50(48)36-43)52(40-17-5-2-6-18-40)51-24-11-12-33-55(51)54/h1-42H;1-40H;1-40H;1-36H
• InChIKey: ZJIVANNGIIIMIJ-UHFFFAOYSA-N
• XLogP: 68.38
• TPSA: 56.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3234.00
LogP ≤ 5	68.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?

The IUPAC name of N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 162136452) is N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

What is the SMILES notation for N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?

The canonical SMILES for N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7c7c(c(-c8ccccc8)c8ccccn87)c6c5)cc4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6c(c(-c7ccccc7)c7ccccn76)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c(-c5ccc6c7ccccc7c7c(c(-c8ccccc8)c8ccccn87)c6c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5c(ccc6cc(-c7ccc8c9ccccc9c9c(c(-c%10ccccc%10)c%10ccccn%109)c8c7)ccc65)c4)cccc23)cc1.

What is the InChIKey of N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?

The InChIKey is ZJIVANNGIIIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O.C64H40N2O.C60H40N2.C54H36N2/c1-3-13-43(14-4-1)45-26-32-51(33-27-45)68(53-36-38-58-62(42-53)69-61-39-31-48-15-7-8-18-54(48)64(58)61)52-34-28-46(29-35-52)44-22-24-47(25-23-44)50-30-37-56-55-19-9-10-20-57(55)66-65(59(56)41-50)63(49-16-5-2-6-17-49)60-21-11-12-40-67(60)66;1-4-16-41(17-5-1)51-24-14-25-55-56-26-15-28-59(64(56)67-63(51)55)66(47-20-8-3-9-21-47)48-33-36-50-46(39-48)30-29-45-38-43(31-34-49(45)50)44-32-35-53-52-22-10-11-23-54(52)62-61(57(53)40-44)60(42-18-6-2-7-19-42)58-27-12-13-37-65(58)62;1-4-18-41(19-5-1)42-33-36-46(37-34-42)62(55-30-13-12-24-48(55)43-20-6-2-7-21-43)56-32-17-28-49-47(27-16-29-52(49)56)45-35-38-51-50-25-10-11-26-53(50)60-59(54(51)40-45)58(44-22-8-3-9-23-44)57-31-14-15-39-61(57)60;1-3-14-37(15-4-1)39-25-29-44(30-26-39)56(46-31-27-38-16-7-8-19-41(38)34-46)45-21-13-20-42(35-45)43-28-32-48-47-22-9-10-23-49(47)54-53(50(48)36-43)52(40-17-5-2-6-18-40)51-24-11-12-33-55(51)54/h1-42H;1-40H;1-40H;1-36H.

What are the key properties of N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?

N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 3234.00 g/mol, XLogP of 68.38, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,6-diphenyl-N-[7-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenanthren-2-yl]dibenzofuran-4-amine;N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;5-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 162136452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).