3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine

C241H161N9 — CID 159254242

About 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine

3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine (PubChem CID 159254242) has the molecular formula C241H161N9 and a molecular weight of 3183.00 g/mol. Its IUPAC name is 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine.

Molecular Properties

• Compound Name: 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine
• PubChem CID: 159254242
• Molecular Formula: C241H161N9
• Molecular Weight: 3183.00 g/mol
• Exact Mass: 3180.29
• IUPAC Name: 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5c6c(ccc3c46)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(-c6ccccc6)cc4)c35)cc21.Cc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2c1cc1ccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc4ccc2c1c43.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c2cc2ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2cc2ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1
• InChI: InChI=1S/C64H41N3.C63H44N2.C58H40N2.C56H36N2/c1-5-18-43(19-6-1)62-56-40-47-31-35-53-58(65(48-23-9-3-10-24-48)50-33-29-42-17-13-14-22-46(42)39-50)37-32-44-30-36-54(61(47)60(44)53)64(56)67(63(62)45-20-7-2-8-21-45)51-34-38-59-55(41-51)52-27-15-16-28-57(52)66(59)49-25-11-4-12-26-49;1-63(2)55-26-16-15-25-50(55)51-37-34-49(40-56(51)63)64(47-23-13-6-14-24-47)57-38-31-44-29-36-53-59-46(30-35-52(57)58(44)59)39-54-60(43-19-9-4-10-20-43)61(45-21-11-5-12-22-45)65(62(53)54)48-32-27-42(28-33-48)41-17-7-3-8-18-41;1-37-38(2)59(51-29-21-46-33-44-15-9-10-16-45(44)34-48(46)35-51)58-53-31-22-43-24-32-55(52-30-23-47(36-54(37)58)57(53)56(43)52)60(49-25-17-41(18-26-49)39-11-5-3-6-12-39)50-27-19-42(20-28-50)40-13-7-4-8-14-40;1-4-16-39(17-5-1)54-50-36-44-27-31-48-51(57(45-22-8-3-9-23-45)46-29-24-37-14-10-12-20-42(37)34-46)33-28-40-26-32-49(53(44)52(40)48)56(50)58(55(54)41-18-6-2-7-19-41)47-30-25-38-15-11-13-21-43(38)35-47/h1-41H;3-40H,1-2H3;3-36H,1-2H3;1-36H
• InChIKey: KVRNHMKHLKBTOQ-UHFFFAOYSA-N
• XLogP: 66.78
• TPSA: 37.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3183.00
LogP ≤ 5	66.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine?

The IUPAC name of 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine (CID 159254242) is 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine.

What is the SMILES notation for 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine?

The canonical SMILES for 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4ccc5c6c(ccc3c46)cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(-c6ccccc6)cc4)c35)cc21.Cc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2c1cc1ccc3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc4ccc2c1c43.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c2cc2ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc4ccccc4c3)c3c2cc2ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc3c2c54)cc1.

What is the InChIKey of 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine?

The InChIKey is KVRNHMKHLKBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3.C63H44N2.C58H40N2.C56H36N2/c1-5-18-43(19-6-1)62-56-40-47-31-35-53-58(65(48-23-9-3-10-24-48)50-33-29-42-17-13-14-22-46(42)39-50)37-32-44-30-36-54(61(47)60(44)53)64(56)67(63(62)45-20-7-2-8-21-45)51-34-38-59-55(41-51)52-27-15-16-28-57(52)66(59)49-25-11-4-12-26-49;1-63(2)55-26-16-15-25-50(55)51-37-34-49(40-56(51)63)64(47-23-13-6-14-24-47)57-38-31-44-29-36-53-59-46(30-35-52(57)58(44)59)39-54-60(43-19-9-4-10-20-43)61(45-21-11-5-12-22-45)65(62(53)54)48-32-27-42(28-33-48)41-17-7-3-8-18-41;1-37-38(2)59(51-29-21-46-33-44-15-9-10-16-45(44)34-48(46)35-51)58-53-31-22-43-24-32-55(52-30-23-47(36-54(37)58)57(53)56(43)52)60(49-25-17-41(18-26-49)39-11-5-3-6-12-39)50-27-19-42(20-28-50)40-13-7-4-8-14-40;1-4-16-39(17-5-1)54-50-36-44-27-31-48-51(57(45-22-8-3-9-23-45)46-29-24-37-14-10-12-20-42(37)34-46)33-28-40-26-32-49(53(44)52(40)48)56(50)58(55(54)41-18-6-2-7-19-41)47-30-25-38-15-11-13-21-43(38)35-47/h1-41H;3-40H,1-2H3;3-36H,1-2H3;1-36H.

What are the key properties of 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine?

3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine has a molecular weight of 3183.00 g/mol, XLogP of 66.78, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-anthracen-2-yl-4,5-dimethyl-N,N-bis(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-(9,9-dimethylfluoren-2-yl)-N,4,5-triphenyl-3-(4-phenylphenyl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N,3-dinaphthalen-2-yl-N,4,5-triphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine;N-naphthalen-2-yl-N,4,5-triphenyl-3-(9-phenylcarbazol-3-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaen-12-amine is sourced from PubChem (CID 159254242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).