N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

C208H132N4O4S4 — CID 165033108

About N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 165033108) has the molecular formula C208H132N4O4S4 and a molecular weight of 2879.64 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 165033108
• Molecular Formula: C208H132N4O4S4
• Molecular Weight: 2879.64 g/mol
• Exact Mass: 2876.91
• IUPAC Name: N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7c8ccccc8sc7c6c45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7c8ccccc8sc7c6c45)cc3)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)cc3)ccc2c1
• InChI: InChI=1S/2C56H35NOS.2C48H31NOS/c1-3-14-44-36(10-1)12-7-17-46(44)38-22-28-41(29-23-38)57(42-30-24-39(25-31-42)47-18-8-13-37-11-2-4-15-45(37)47)43-32-26-40(27-33-43)48-19-9-20-51-54(48)55-52(58-51)35-34-50-49-16-5-6-21-53(49)59-56(50)55;1-3-10-41-34-43(18-16-36(41)8-1)38-20-26-45(27-21-38)57(46-28-22-39(23-29-46)44-19-17-37-9-2-4-11-42(37)35-44)47-30-24-40(25-31-47)48-13-7-14-51-54(48)55-52(58-51)33-32-50-49-12-5-6-15-53(49)59-56(50)55;1-3-12-32(13-4-1)33-22-26-36(27-23-33)49(42-19-9-7-16-38(42)34-14-5-2-6-15-34)37-28-24-35(25-29-37)39-18-11-20-43-46(39)47-44(50-43)31-30-41-40-17-8-10-21-45(40)51-48(41)47;1-3-11-32(12-4-1)34-21-25-37(26-22-34)49(39-16-9-15-36(31-39)33-13-5-2-6-14-33)38-27-23-35(24-28-38)40-18-10-19-43-46(40)47-44(50-43)30-29-42-41-17-7-8-20-45(41)51-48(42)47/h2*1-35H;2*1-31H
• InChIKey: MYVBDIGJWDSORA-UHFFFAOYSA-N
• XLogP: 62.31
• TPSA: 65.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2879.64
LogP ≤ 5	62.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (CID 165033108) is N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7c8ccccc8sc7c6c45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccc7c8ccccc8sc7c6c45)cc3)c3ccccc3-c3ccccc3)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)cc3)ccc2c1.

What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is MYVBDIGJWDSORA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35NOS.2C48H31NOS/c1-3-14-44-36(10-1)12-7-17-46(44)38-22-28-41(29-23-38)57(42-30-24-39(25-31-42)47-18-8-13-37-11-2-4-15-45(37)47)43-32-26-40(27-33-43)48-19-9-20-51-54(48)55-52(58-51)35-34-50-49-16-5-6-21-53(49)59-56(50)55;1-3-10-41-34-43(18-16-36(41)8-1)38-20-26-45(27-21-38)57(46-28-22-39(23-29-46)44-19-17-37-9-2-4-11-42(37)35-44)47-30-24-40(25-31-47)48-13-7-14-51-54(48)55-52(58-51)33-32-50-49-12-5-6-15-53(49)59-56(50)55;1-3-12-32(13-4-1)33-22-26-36(27-23-33)49(42-19-9-7-16-38(42)34-14-5-2-6-15-34)37-28-24-35(25-29-37)39-18-11-20-43-46(39)47-44(50-43)31-30-41-40-17-8-10-21-45(40)51-48(41)47;1-3-11-32(12-4-1)34-21-25-37(26-22-34)49(39-16-9-15-36(31-39)33-13-5-2-6-14-33)38-27-23-35(24-28-38)40-18-10-19-43-46(40)47-44(50-43)30-29-42-41-17-7-8-20-45(41)51-48(42)47/h2*1-35H;2*1-31H.

What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?

N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 2879.64 g/mol, XLogP of 62.31, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;4-naphthalen-2-yl-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),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 165033108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).