N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine

C130H86N4O5 — CID 157184065

About N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine

N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 157184065) has the molecular formula C130H86N4O5 and a molecular weight of 1784.14 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine
• PubChem CID: 157184065
• Molecular Formula: C130H86N4O5
• Molecular Weight: 1784.14 g/mol
• Exact Mass: 1782.66
• IUPAC Name: N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine
• SMILES: Cc1ccc2c(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1O5.Cc1ccc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1O5
• InChI: InChI=1S/C68H44N2O3.C62H42N2O2/c1-41-27-33-48-54(43-28-30-46(31-29-43)69(44-15-5-3-6-16-44)60-23-13-21-52-49-19-9-11-25-62(49)72-67(52)60)39-57-56(55(48)35-41)40-59-51-34-32-47(38-64(51)71-65-37-42(2)36-58(57)66(59)65)70(45-17-7-4-8-18-45)61-24-14-22-53-50-20-10-12-26-63(50)73-68(53)61;1-39-25-31-47-51(41-26-28-45(29-27-41)63(42-15-6-3-7-16-42)43-17-8-4-9-18-43)37-54-53(52(47)33-39)38-56-49-32-30-46(36-59(49)65-60-35-40(2)34-55(54)61(56)60)64(44-19-10-5-11-20-44)57-23-14-22-50-48-21-12-13-24-58(48)66-62(50)57/h3-40H,1-2H3;3-38H,1-2H3
• InChIKey: AOXDAUGTDFLEPC-UHFFFAOYSA-N
• XLogP: 37.98
• TPSA: 70.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1784.14
LogP ≤ 5	37.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine?

The IUPAC name of N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine (CID 157184065) is N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine?

The canonical SMILES for N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine is Cc1ccc2c(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1O5.Cc1ccc2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1O5.

What is the InChIKey of N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine?

The InChIKey is AOXDAUGTDFLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O3.C62H42N2O2/c1-41-27-33-48-54(43-28-30-46(31-29-43)69(44-15-5-3-6-16-44)60-23-13-21-52-49-19-9-11-25-62(49)72-67(52)60)39-57-56(55(48)35-41)40-59-51-34-32-47(38-64(51)71-65-37-42(2)36-58(57)66(59)65)70(45-17-7-4-8-18-45)61-24-14-22-53-50-20-10-12-26-63(50)73-68(53)61;1-39-25-31-47-51(41-26-28-45(29-27-41)63(42-15-6-3-7-16-42)43-17-8-4-9-18-43)37-54-53(52(47)33-39)38-56-49-32-30-46(36-59(49)65-60-35-40(2)34-55(54)61(56)60)64(44-19-10-5-11-20-44)57-23-14-22-50-48-21-12-13-24-58(48)66-62(50)57/h3-40H,1-2H3;3-38H,1-2H3.

What are the key properties of N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine?

N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 1784.14 g/mol, XLogP of 37.98, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-4-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine;N-dibenzofuran-4-yl-8,23-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 157184065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).