N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine

C150H90N6O6S2 — CID 158101289

About N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 158101289) has the molecular formula C150H90N6O6S2 and a molecular weight of 2136.54 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
• PubChem CID: 158101289
• Molecular Formula: C150H90N6O6S2
• Molecular Weight: 2136.54 g/mol
• Exact Mass: 2134.64
• IUPAC Name: N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c6cccc7c6n(c45)-c4ccccc4O7)cc3)c3ccc4c(c3)oc3cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7c(c6)sc6ccccc67)cc5)c4n-2c13
• InChI: InChI=1S/C54H34N2O2.C48H28N2O3.C48H28N2OS2/c1-3-11-35(12-4-1)37-21-26-40(27-22-37)55(42-30-32-45-44-31-25-39(36-13-5-2-6-14-36)33-51(44)58-52(45)34-42)41-28-23-38(24-29-41)43-15-9-16-46-47-17-10-20-50-54(47)56(53(43)46)48-18-7-8-19-49(48)57-50;1-4-15-41-34(9-1)36-25-23-31(27-45(36)51-41)49(32-24-26-37-35-10-2-5-16-42(35)52-46(37)28-32)30-21-19-29(20-22-30)33-11-7-12-38-39-13-8-18-44-48(39)50(47(33)38)40-14-3-6-17-43(40)53-44;1-5-17-43-34(9-1)36-25-23-31(27-45(36)52-43)49(32-24-26-37-35-10-2-6-18-44(35)53-46(37)28-32)30-21-19-29(20-22-30)33-11-7-12-38-39-13-8-16-42-48(39)50(47(33)38)40-14-3-4-15-41(40)51-42/h1-34H;2*1-28H
• InChIKey: FPHCKTBWGUWMKT-UHFFFAOYSA-N
• XLogP: 43.85
• TPSA: 91.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.54
LogP ≤ 5	43.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 158101289) is N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c6cccc7c6n(c45)-c4ccccc4O7)cc3)c3ccc4c(c3)oc3cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5)c4n-2c13.c1ccc2c(c1)Oc1cccc3c4cccc(-c5ccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7c(c6)sc6ccccc67)cc5)c4n-2c13.

What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?

The InChIKey is FPHCKTBWGUWMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2.C48H28N2O3.C48H28N2OS2/c1-3-11-35(12-4-1)37-21-26-40(27-22-37)55(42-30-32-45-44-31-25-39(36-13-5-2-6-14-36)33-51(44)58-52(45)34-42)41-28-23-38(24-29-41)43-15-9-16-46-47-17-10-20-50-54(47)56(53(43)46)48-18-7-8-19-49(48)57-50;1-4-15-41-34(9-1)36-25-23-31(27-45(36)51-41)49(32-24-26-37-35-10-2-5-16-42(35)52-46(37)28-32)30-21-19-29(20-22-30)33-11-7-12-38-39-13-8-18-44-48(39)50(47(33)38)40-14-3-6-17-43(40)53-44;1-5-17-43-34(9-1)36-25-23-31(27-45(36)52-43)49(32-24-26-37-35-10-2-6-18-44(35)53-46(37)28-32)30-21-19-29(20-22-30)33-11-7-12-38-39-13-8-16-42-48(39)50(47(33)38)40-14-3-4-15-41(40)51-42/h1-34H;2*1-28H.

What are the key properties of N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?

N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 2136.54 g/mol, XLogP of 43.85, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]dibenzothiophen-3-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 158101289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).