N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine

C144H84N6O5S4 — CID 162010998

About N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine

N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 162010998) has the molecular formula C144H84N6O5S4 and a molecular weight of 2106.56 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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine
• PubChem CID: 162010998
• Molecular Formula: C144H84N6O5S4
• Molecular Weight: 2106.56 g/mol
• Exact Mass: 2104.54
• IUPAC Name: N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine
• SMILES: c1ccc2c(c1)Oc1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c3c4ccccc4n-2c13.c1ccc2c(c1)Oc1ccc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)cc3)c3c4ccccc4n-2c13.c1ccc2c(c1)Oc1ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c3c4ccccc4n-2c13
• InChI: InChI=1S/C48H28N2O3.2C48H28N2OS2/c1-4-12-39-38(11-1)47-33(25-26-44-48(47)50(39)40-13-5-8-16-43(40)53-44)29-17-19-30(20-18-29)49(31-21-23-36-34-9-2-6-14-41(34)51-45(36)27-31)32-22-24-37-35-10-3-7-15-42(35)52-46(37)28-32;1-4-16-37-36(13-1)45-31(27-28-42-46(45)50(37)38-17-5-6-20-41(38)51-42)29-23-25-30(26-24-29)49(39-18-9-14-34-32-11-2-7-21-43(32)52-47(34)39)40-19-10-15-35-33-12-3-8-22-44(33)53-48(35)40;1-4-12-39-38(11-1)47-33(25-26-42-48(47)50(39)40-13-5-6-14-41(40)51-42)29-17-19-30(20-18-29)49(31-21-23-36-34-9-2-7-15-43(34)52-45(36)27-31)32-22-24-37-35-10-3-8-16-44(35)53-46(37)28-32/h3*1-28H
• InChIKey: YTLVAIPWVOXHLZ-UHFFFAOYSA-N
• XLogP: 43.35
• TPSA: 78.48 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.56
LogP ≤ 5	43.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine (CID 162010998) is N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine is c1ccc2c(c1)Oc1ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c3c4ccccc4n-2c13.c1ccc2c(c1)Oc1ccc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)cc3)c3c4ccccc4n-2c13.c1ccc2c(c1)Oc1ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c3c4ccccc4n-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine?

The InChIKey is YTLVAIPWVOXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O3.2C48H28N2OS2/c1-4-12-39-38(11-1)47-33(25-26-44-48(47)50(39)40-13-5-8-16-43(40)53-44)29-17-19-30(20-18-29)49(31-21-23-36-34-9-2-6-14-41(34)51-45(36)27-31)32-22-24-37-35-10-3-7-15-42(35)52-46(37)28-32;1-4-16-37-36(13-1)45-31(27-28-42-46(45)50(37)38-17-5-6-20-41(38)51-42)29-23-25-30(26-24-29)49(39-18-9-14-34-32-11-2-7-21-43(32)52-47(34)39)40-19-10-15-35-33-12-3-8-22-44(33)53-48(35)40;1-4-12-39-38(11-1)47-33(25-26-42-48(47)50(39)40-13-5-6-14-41(40)51-42)29-17-19-30(20-18-29)49(31-21-23-36-34-9-2-7-15-43(34)52-45(36)27-31)32-22-24-37-35-10-3-8-16-44(35)53-46(37)28-32/h3*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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine?

N-dibenzofuran-3-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2106.56 g/mol, XLogP of 43.35, 12 rotatable bonds, 0 hydrogen bond donors, and 15 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-2,4,6,8,10,12(20),14,16,18-nonaen-9-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-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaen-9-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 162010998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).