N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C212H124N4O10S2 — CID 158680802

About N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 158680802) has the molecular formula C212H124N4O10S2 and a molecular weight of 2951.48 g/mol. Its IUPAC name is N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
• PubChem CID: 158680802
• Molecular Formula: C212H124N4O10S2
• Molecular Weight: 2951.48 g/mol
• Exact Mass: 2948.88
• IUPAC Name: N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6oc7ccc8ccc9oc%10ccccc%10c9c8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cccc2c1.c1ccc2c(c1)ccc1cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3cccc4c3sc3ccccc34)ccc12.c1ccc2cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc2c1
• InChI: InChI=1S/C56H33NO3.C54H31NO2S.C52H31NO3.C50H29NO2S/c1-2-11-41-34(9-1)10-7-14-42(41)35-19-25-38(26-20-35)57(40-29-30-45-44-12-3-5-16-47(44)59-52(45)33-40)39-27-21-36(22-28-39)43-15-8-18-49-54(43)56-51(60-49)32-24-37-23-31-50-55(53(37)56)46-13-4-6-17-48(46)58-50;1-2-10-38-32(9-1)19-20-35-31-37(27-28-39(35)38)55(44-15-7-14-42-41-11-4-6-18-49(41)58-54(42)44)36-25-21-33(22-26-36)40-13-8-17-46-51(40)53-48(57-46)30-24-34-23-29-47-52(50(34)53)43-12-3-5-16-45(43)56-47;1-2-10-32(11-3-1)33-20-26-36(27-21-33)53(41-15-9-19-44-49(41)39-12-4-6-16-42(39)54-44)37-28-22-34(23-29-37)38-14-8-18-45-50(38)52-47(56-45)31-25-35-24-30-46-51(48(35)52)40-13-5-7-17-43(40)55-46;1-2-9-33-28-35(23-16-30(33)8-1)51(36-24-27-46-40(29-36)38-10-4-6-15-45(38)54-46)34-21-17-31(18-22-34)37-12-7-14-42-48(37)50-44(53-42)26-20-32-19-25-43-49(47(32)50)39-11-3-5-13-41(39)52-43/h1-33H;1-31H;1-31H;1-29H
• InChIKey: IFCHTIBGRYVFPD-UHFFFAOYSA-N
• XLogP: 63.58
• TPSA: 144.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2951.48
LogP ≤ 5	63.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?

The IUPAC name of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 158680802) is N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

What is the SMILES notation for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?

The canonical SMILES for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6oc7ccc8ccc9oc%10ccccc%10c9c8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc3)cccc2c1.c1ccc2c(c1)ccc1cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3cccc4c3sc3ccccc34)ccc12.c1ccc2cc(N(c3ccc(-c4cccc5oc6ccc7ccc8oc9ccccc9c8c7c6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc2c1.

What is the InChIKey of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?

The InChIKey is IFCHTIBGRYVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO3.C54H31NO2S.C52H31NO3.C50H29NO2S/c1-2-11-41-34(9-1)10-7-14-42(41)35-19-25-38(26-20-35)57(40-29-30-45-44-12-3-5-16-47(44)59-52(45)33-40)39-27-21-36(22-28-39)43-15-8-18-49-54(43)56-51(60-49)32-24-37-23-31-50-55(53(37)56)46-13-4-6-17-48(46)58-50;1-2-10-38-32(9-1)19-20-35-31-37(27-28-39(35)38)55(44-15-7-14-42-41-11-4-6-18-49(41)58-54(42)44)36-25-21-33(22-26-36)40-13-8-17-46-51(40)53-48(57-46)30-24-34-23-29-47-52(50(34)53)43-12-3-5-16-45(43)56-47;1-2-10-32(11-3-1)33-20-26-36(27-21-33)53(41-15-9-19-44-49(41)39-12-4-6-16-42(39)54-44)37-28-22-34(23-29-37)38-14-8-18-45-50(38)52-47(56-45)31-25-35-24-30-46-51(48(35)52)40-13-5-7-17-43(40)55-46;1-2-9-33-28-35(23-16-30(33)8-1)51(36-24-27-46-40(29-36)38-10-4-6-15-45(38)54-46)34-21-17-31(18-22-34)37-12-7-14-42-48(37)50-44(53-42)26-20-32-19-25-43-49(47(32)50)39-11-3-5-13-41(39)52-43/h1-33H;1-31H;1-31H;1-29H.

What are the key properties of N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 2951.48 g/mol, XLogP of 63.58, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-4-amine;N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 158680802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).