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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

C186H120N8O4S — CID 157339711

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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 157339711) 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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
• PubChem CID: 157339711
• 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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
• SMILES: c1cc(-c2cccc3c4cccc5c4n(c23)-c2ccccc2O5)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-n4c6ccccc6c6cccc(c64)O5)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)c3ccccc23)cc1
• InChI: InChI=1S/C54H34N2OS.C50H32N2O.C42H28N2O.C40H26N2O/c1-3-13-35(14-4-1)36-27-31-39(32-28-36)55(48-24-10-22-46-45-21-9-19-42(53(45)58-54(46)48)37-15-5-2-6-16-37)40-33-29-38(30-34-40)41-18-11-25-49-51(41)56-47-23-8-7-17-43(47)44-20-12-26-50(57-49)52(44)56;1-2-13-36-31-37(26-25-33(36)11-1)34-27-29-39(30-28-34)51(45-22-8-14-35-12-3-4-17-41(35)45)40-16-7-15-38(32-40)42-18-9-19-43-44-20-10-24-48-50(44)52(49(42)43)46-21-5-6-23-47(46)53-48;1-3-11-29(12-4-1)31-21-25-33(26-22-31)43(34-27-23-32(24-28-34)30-13-5-2-6-14-30)38-18-10-20-40-42(38)44-37-17-8-7-15-35(37)36-16-9-19-39(45-40)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)33-20-11-23-37-39(33)42-35-22-10-9-19-32(35)34-21-12-24-38(43-37)40(34)42/h1-34H;1-32H;1-28H;1-26H
• InChIKey: BGGHYCBBMLAFFW-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 157339711) 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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1cc(-c2cccc3c4cccc5c4n(c23)-c2ccccc2O5)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-n4c6ccccc6c6cccc(c64)O5)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The InChIKey is BGGHYCBBMLAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS.C50H32N2O.C42H28N2O.C40H26N2O/c1-3-13-35(14-4-1)36-27-31-39(32-28-36)55(48-24-10-22-46-45-21-9-19-42(53(45)58-54(46)48)37-15-5-2-6-16-37)40-33-29-38(30-34-40)41-18-11-25-49-51(41)56-47-23-8-7-17-43(47)44-20-12-26-50(57-49)52(44)56;1-2-13-36-31-37(26-25-33(36)11-1)34-27-29-39(30-28-34)51(45-22-8-14-35-12-3-4-17-41(35)45)40-16-7-15-38(32-40)42-18-9-19-43-44-20-10-24-48-50(44)52(49(42)43)46-21-5-6-23-47(46)53-48;1-3-11-29(12-4-1)31-21-25-33(26-22-31)43(34-27-23-32(24-28-34)30-13-5-2-6-14-30)38-18-10-20-40-42(38)44-37-17-8-7-15-35(37)36-16-9-19-39(45-40)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)33-20-11-23-37-39(33)42-35-22-10-9-19-32(35)34-21-12-24-38(43-37)40(34)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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-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-18-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(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]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-18-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-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 157339711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).