N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

C203H136B3N3O7S — CID 161433649

About N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine

N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (PubChem CID 161433649) has the molecular formula C203H136B3N3O7S and a molecular weight of 2793.84 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
• PubChem CID: 161433649
• Molecular Formula: C203H136B3N3O7S
• Molecular Weight: 2793.84 g/mol
• Exact Mass: 2792.04
• IUPAC Name: N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
• SMILES: Cc1cc(C)c(B(c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2O5)c2cccc3c2oc2ccccc23)c(C)c1.Cc1cc(C)c(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(B(c3c(C)cccc3C)c3cccc5c3oc3ccccc35)cc42)c2cc3ccccc3c3ccccc23)c(C)c1.Cc1ccccc1B(c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2sc2ccccc23)cc1O4)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C69H46BNO3.C67H42BNO2S.C67H48BNO2/c1-41-36-42(2)67(43(3)37-41)70(58-28-15-26-53-49-23-10-13-31-62(49)73-68(53)58)59-40-56-52-25-17-33-64-66(52)57(39-55(56)47-21-7-8-22-48(47)59)51-35-34-45(38-65(51)72-64)71(60-29-12-9-20-46(60)44-18-5-4-6-19-44)61-30-16-27-54-50-24-11-14-32-63(50)74-69(54)61;1-41-18-5-11-29-56(41)68(57-30-15-27-51-47-24-9-13-33-61(47)71-66(51)57)58-40-54-50-26-17-34-62-65(50)55(39-53(54)45-22-6-7-23-46(45)58)48-37-36-43(38-63(48)70-62)69(59-31-12-8-21-44(59)42-19-3-2-4-20-42)60-32-16-28-52-49-25-10-14-35-64(49)72-67(52)60;1-39-33-42(4)66(43(5)34-39)69(60-35-44-19-6-7-20-46(44)47-21-9-11-24-50(47)60)45-31-32-52-57-37-55-48-22-8-10-23-49(48)59(38-56(55)53-26-16-30-62(64(53)57)70-63(52)36-45)68(65-40(2)17-14-18-41(65)3)58-28-15-27-54-51-25-12-13-29-61(51)71-67(54)58/h4-40H,1-3H3;2-40H,1H3;6-38H,1-5H3
• InChIKey: VYISMDCSNGWLRO-UHFFFAOYSA-N
• XLogP: 51.10
• TPSA: 89.97 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2793.84
LogP ≤ 5	51.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?

The IUPAC name of N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine (CID 161433649) is N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?

The canonical SMILES for N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is Cc1cc(C)c(B(c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cc2O5)c2cccc3c2oc2ccccc23)c(C)c1.Cc1cc(C)c(N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(B(c3c(C)cccc3C)c3cccc5c3oc3ccccc35)cc42)c2cc3ccccc3c3ccccc23)c(C)c1.Cc1ccccc1B(c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2sc2ccccc23)cc1O4)c1cccc2c1oc1ccccc12.

What is the InChIKey of N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?

The InChIKey is VYISMDCSNGWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46BNO3.C67H42BNO2S.C67H48BNO2/c1-41-36-42(2)67(43(3)37-41)70(58-28-15-26-53-49-23-10-13-31-62(49)73-68(53)58)59-40-56-52-25-17-33-64-66(52)57(39-55(56)47-21-7-8-22-48(47)59)51-35-34-45(38-65(51)72-64)71(60-29-12-9-20-46(60)44-18-5-4-6-19-44)61-30-16-27-54-50-24-11-14-32-63(50)74-69(54)61;1-41-18-5-11-29-56(41)68(57-30-15-27-51-47-24-9-13-33-61(47)71-66(51)57)58-40-54-50-26-17-34-62-65(50)55(39-53(54)45-22-6-7-23-46(45)58)48-37-36-43(38-63(48)70-62)69(59-31-12-8-21-44(59)42-19-3-2-4-20-42)60-32-16-28-52-49-25-10-14-35-64(49)72-67(52)60;1-39-33-42(4)66(43(5)34-39)69(60-35-44-19-6-7-20-46(44)47-21-9-11-24-50(47)60)45-31-32-52-57-37-55-48-22-8-10-23-49(48)59(38-56(55)53-26-16-30-62(64(53)57)70-63(52)36-45)68(65-40(2)17-14-18-41(65)3)58-28-15-27-54-51-25-12-13-29-61(51)71-67(54)58/h4-40H,1-3H3;2-40H,1H3;6-38H,1-5H3.

What are the key properties of N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine?

N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine has a molecular weight of 2793.84 g/mol, XLogP of 51.10, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-4-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-9-yl-N-(2,4,6-trimethylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine;4-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-dibenzothiophen-4-yl-N-(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine is sourced from PubChem (CID 161433649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).