N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

C186H120N8O4S — CID 157247183

About N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 157247183) has the molecular formula C186H120N8O4S and a molecular weight of 2563.12 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
• PubChem CID: 157247183
• Molecular Formula: C186H120N8O4S
• Molecular Weight: 2563.12 g/mol
• Exact Mass: 2560.92
• IUPAC Name: N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
• SMILES: c1cc(-c2ccc3c4ccccc4n4c3c2Oc2ccccc2-4)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n6c5c4Oc4ccccc4-6)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5n5c4c3Oc3ccccc3-5)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5n5c4c3Oc3ccccc3-5)c3ccccc23)cc1
• InChI: InChI=1S/C54H34N2OS.C50H32N2O.C42H28N2O.C40H26N2O/c1-3-13-35(14-4-1)36-25-29-39(30-26-36)55(49-23-12-20-46-45-19-11-18-42(53(45)58-54(46)49)37-15-5-2-6-16-37)40-31-27-38(28-32-40)41-33-34-44-43-17-7-8-21-47(43)56-48-22-9-10-24-50(48)57-52(41)51(44)56;1-2-13-36-31-37(24-23-33(36)11-1)34-25-27-39(28-26-34)51(45-21-10-14-35-12-3-4-17-41(35)45)40-16-9-15-38(32-40)42-29-30-44-43-18-5-6-19-46(43)52-47-20-7-8-22-48(47)53-50(42)49(44)52;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43(34-25-21-32(22-26-34)30-13-5-2-6-14-30)39-28-27-36-35-15-7-8-16-37(35)44-38-17-9-10-18-40(38)45-42(39)41(36)44;1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)36-26-25-30(29-17-7-8-18-31(29)36)34-24-23-33-32-19-9-10-20-35(32)42-37-21-11-12-22-38(37)43-40(34)39(33)42/h1-34H;1-32H;1-28H;1-26H
• InChIKey: AVXNXWFPOQOIFH-UHFFFAOYSA-N
• XLogP: 52.60
• TPSA: 69.60 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2563.12
LogP ≤ 5	52.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The IUPAC name of N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 157247183) is N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The canonical SMILES for N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1cc(-c2ccc3c4ccccc4n4c3c2Oc2ccccc2-4)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n6c5c4Oc4ccccc4-6)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5n5c4c3Oc3ccccc3-5)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5n5c4c3Oc3ccccc3-5)c3ccccc23)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The InChIKey is AVXNXWFPOQOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS.C50H32N2O.C42H28N2O.C40H26N2O/c1-3-13-35(14-4-1)36-25-29-39(30-26-36)55(49-23-12-20-46-45-19-11-18-42(53(45)58-54(46)49)37-15-5-2-6-16-37)40-31-27-38(28-32-40)41-33-34-44-43-17-7-8-21-47(43)56-48-22-9-10-24-50(48)57-52(41)51(44)56;1-2-13-36-31-37(24-23-33(36)11-1)34-25-27-39(28-26-34)51(45-21-10-14-35-12-3-4-17-41(35)45)40-16-9-15-38(32-40)42-29-30-44-43-18-5-6-19-46(43)52-47-20-7-8-22-48(47)53-50(42)49(44)52;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43(34-25-21-32(22-26-34)30-13-5-2-6-14-30)39-28-27-36-35-15-7-8-16-37(35)44-38-17-9-10-18-40(38)45-42(39)41(36)44;1-3-13-27(14-4-1)41(28-15-5-2-6-16-28)36-26-25-30(29-17-7-8-18-31(29)36)34-24-23-33-32-19-9-10-20-35(32)42-37-21-11-12-22-38(37)43-40(34)39(33)42/h1-34H;1-32H;1-28H;1-26H.

What are the key properties of N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 2563.12 g/mol, XLogP of 52.60, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]naphthalen-1-amine;4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-11-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 157247183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).