N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

C216H130N4O6S6 — CID 165010961

About N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 165010961) has the molecular formula C216H130N4O6S6 and a molecular weight of 3069.84 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
• PubChem CID: 165010961
• Molecular Formula: C216H130N4O6S6
• Molecular Weight: 3069.84 g/mol
• Exact Mass: 3066.83
• IUPAC Name: N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c5ccc5oc6ccccc6c54)cc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c5ccc5oc6ccccc6c54)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c5ccc5oc6ccccc6c54)cc3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c6ccc6oc7ccccc7c65)cc4)c4cccc5c4sc4cc6ccccc6cc45)cc3)ccc2c1
• InChI: InChI=1S/C56H33NOS2.C54H33NO2S.C54H33NOS2.C52H31NO2S/c1-2-10-37-31-40(20-19-34(37)9-1)35-21-25-41(26-22-35)57(49-17-8-16-45-48-32-38-11-3-4-12-39(38)33-52(48)59-55(45)49)42-27-23-36(24-28-42)43-14-7-15-44-46-29-30-51-53(56(46)60-54(43)44)47-13-5-6-18-50(47)58-51;1-3-12-34(13-4-1)35-24-28-38(29-25-35)55(47-22-11-20-43-42-19-9-17-40(51(42)57-52(43)47)36-14-5-2-6-15-36)39-30-26-37(27-31-39)41-18-10-21-44-45-32-33-49-50(54(45)58-53(41)44)46-16-7-8-23-48(46)56-49;1-3-12-34(13-4-1)35-24-28-38(29-25-35)55(47-22-11-21-44-42-19-9-17-40(51(42)57-53(44)47)36-14-5-2-6-15-36)39-30-26-37(27-31-39)41-18-10-20-43-45-32-33-49-50(54(45)58-52(41)43)46-16-7-8-23-48(46)56-49;1-2-10-32(11-3-1)33-20-25-36(26-21-33)53(44-17-9-19-46-48(44)43-29-24-34-12-4-5-13-38(34)50(43)55-46)37-27-22-35(23-28-37)39-15-8-16-40-41-30-31-47-49(52(41)56-51(39)40)42-14-6-7-18-45(42)54-47/h1-33H;2*1-33H;1-31H
• InChIKey: JRSOWNLFKOVQNQ-UHFFFAOYSA-N
• XLogP: 66.36
• TPSA: 91.80 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3069.84
LogP ≤ 5	66.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 165010961) is N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine.

What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c5ccc5oc6ccccc6c54)cc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c5ccc5oc6ccccc6c54)cc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c5ccc5oc6ccccc6c54)cc3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6c5sc5c6ccc6oc7ccccc7c65)cc4)c4cccc5c4sc4cc6ccccc6cc45)cc3)ccc2c1.

What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

The InChIKey is JRSOWNLFKOVQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NOS2.C54H33NO2S.C54H33NOS2.C52H31NO2S/c1-2-10-37-31-40(20-19-34(37)9-1)35-21-25-41(26-22-35)57(49-17-8-16-45-48-32-38-11-3-4-12-39(38)33-52(48)59-55(45)49)42-27-23-36(24-28-42)43-14-7-15-44-46-29-30-51-53(56(46)60-54(43)44)47-13-5-6-18-50(47)58-51;1-3-12-34(13-4-1)35-24-28-38(29-25-35)55(47-22-11-20-43-42-19-9-17-40(51(42)57-52(43)47)36-14-5-2-6-15-36)39-30-26-37(27-31-39)41-18-10-21-44-45-32-33-49-50(54(45)58-53(41)44)46-16-7-8-23-48(46)56-49;1-3-12-34(13-4-1)35-24-28-38(29-25-35)55(47-22-11-21-44-42-19-9-17-40(51(42)57-53(44)47)36-14-5-2-6-15-36)39-30-26-37(27-31-39)41-18-10-20-43-45-32-33-49-50(54(45)58-52(41)43)46-16-7-8-23-48(46)56-49;1-2-10-32(11-3-1)33-20-25-36(26-21-33)53(44-17-9-19-46-48(44)43-29-24-34-12-4-5-13-38(34)50(43)55-46)37-27-22-35(23-28-37)39-15-8-16-40-41-30-31-47-49(52(41)56-51(39)40)42-14-6-7-18-45(42)54-47/h1-33H;2*1-33H;1-31H.

What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine?

N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 3069.84 g/mol, XLogP of 66.36, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-ylphenyl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]naphtho[2,3-b][1]benzothiol-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 165010961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).