6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

C190H122N8O2S — CID 157103304

About 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine

6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 157103304) has the molecular formula C190H122N8O2S and a molecular weight of 2581.19 g/mol. Its IUPAC name is 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

• Compound Name: 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
• PubChem CID: 157103304
• Molecular Formula: C190H122N8O2S
• Molecular Weight: 2581.19 g/mol
• Exact Mass: 2578.94
• IUPAC Name: 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)cc3)c3ccc4oc5ccccc5c4c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c7ccccc7c65)cc4)nc3)c3cc(-c4ccccc4)cc4c3oc3ccccc34)cc2)cc1.c1ccc(-n2c3cc(N(c4ccc(-c5cccc(-n6c7ccc8ccccc8c7c7ccc8ccccc8c76)c5)cc4)c4ccc5c(c4)sc4ccccc45)ccc3c3cc4ccccc4cc32)cc1
• InChI: InChI=1S/C66H41N3S.C65H41N3O.C59H40N2O/c1-2-18-48(19-3-1)68-61-39-47-16-5-4-15-46(47)38-59(61)55-34-31-51(40-62(55)68)67(52-32-35-57-56-23-10-11-24-63(56)70-64(57)41-52)49-29-25-42(26-30-49)45-17-12-20-50(37-45)69-60-36-28-43-13-6-8-21-53(43)65(60)58-33-27-44-14-7-9-22-54(44)66(58)69;1-3-15-42(16-4-1)44-27-32-48(33-28-44)67(60-40-47(43-17-5-2-6-18-43)39-57-54-23-13-14-26-61(54)69-65(57)60)50-36-37-58(66-41-50)46-29-34-49(35-30-46)68-59-38-31-45-19-7-8-20-51(45)62(59)63-55-24-11-9-21-52(55)53-22-10-12-25-56(53)64(63)68;1-59(2)51-17-9-7-15-47(51)48-31-29-44(36-52(48)59)60(43-30-34-56-50(35-43)49-16-8-10-18-55(49)62-56)41-25-19-37(20-26-41)38-21-27-42(28-22-38)61-53-32-23-39-11-3-5-13-45(39)57(53)58-46-14-6-4-12-40(46)24-33-54(58)61/h1-41H;1-41H;3-36H,1-2H3
• InChIKey: AGAAMYARXYWQBB-UHFFFAOYSA-N
• XLogP: 53.29
• TPSA: 68.61 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.19
LogP ≤ 5	53.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

The IUPAC name of 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine (CID 157103304) is 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine.

What is the SMILES notation for 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

The canonical SMILES for 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7ccc65)cc4)cc3)c3ccc4oc5ccccc5c4c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccc7ccccc7c6c6c7ccccc7c7ccccc7c65)cc4)nc3)c3cc(-c4ccccc4)cc4c3oc3ccccc34)cc2)cc1.c1ccc(-n2c3cc(N(c4ccc(-c5cccc(-n6c7ccc8ccccc8c7c7ccc8ccccc8c76)c5)cc4)c4ccc5c(c4)sc4ccccc45)ccc3c3cc4ccccc4cc32)cc1.

What is the InChIKey of 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

The InChIKey is AGAAMYARXYWQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3S.C65H41N3O.C59H40N2O/c1-2-18-48(19-3-1)68-61-39-47-16-5-4-15-46(47)38-59(61)55-34-31-51(40-62(55)68)67(52-32-35-57-56-23-10-11-24-63(56)70-64(57)41-52)49-29-25-42(26-30-49)45-17-12-20-50(37-45)69-60-36-28-43-13-6-8-21-53(43)65(60)58-33-27-44-14-7-9-22-54(44)66(58)69;1-3-15-42(16-4-1)44-27-32-48(33-28-44)67(60-40-47(43-17-5-2-6-18-43)39-57-54-23-13-14-26-61(54)69-65(57)60)50-36-37-58(66-41-50)46-29-34-49(35-30-46)68-59-38-31-45-19-7-8-20-51(45)62(59)63-55-24-11-9-21-52(55)53-22-10-12-25-56(53)64(63)68;1-59(2)51-17-9-7-15-47(51)48-31-29-44(36-52(48)59)60(43-30-34-56-50(35-43)49-16-8-10-18-55(49)62-56)41-25-19-37(20-26-41)38-21-27-42(28-22-38)61-53-32-23-39-11-3-5-13-45(39)57(53)58-46-14-6-4-12-40(46)24-33-54(58)61/h1-41H;1-41H;3-36H,1-2H3.

What are the key properties of 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine?

6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine has a molecular weight of 2581.19 g/mol, XLogP of 53.29, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-25-yl)phenyl]-N-(2-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-dibenzothiophen-3-yl-5-phenylbenzo[b]carbazol-3-amine;N-[4-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 157103304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).