7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine

C187H118N4O9 — CID 158781362

About 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine

7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 158781362) has the molecular formula C187H118N4O9 and a molecular weight of 2565.02 g/mol. Its IUPAC name is 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
• PubChem CID: 158781362
• Molecular Formula: C187H118N4O9
• Molecular Weight: 2565.02 g/mol
• Exact Mass: 2562.89
• IUPAC Name: 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
• SMILES: CC1(C)c2cc(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.c1cc(-c2cc3c4ccccc4oc3c3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1.c1ccc(N(c2ccc(-c3ccc(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)cc3)cc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C52H31NO3.C50H31NO2.C45H31NO2.C40H25NO2/c1-2-11-36(12-3-1)53(38-27-28-42-48(30-38)54-47-29-24-34-10-4-5-13-39(34)49(42)47)37-25-22-33(23-26-37)32-18-20-35(21-19-32)43-31-44-40-14-6-8-16-45(40)55-52(44)50-41-15-7-9-17-46(41)56-51(43)50;1-2-13-35-29-36(24-23-32(35)11-1)33-25-27-38(28-26-33)51(45-20-10-14-34-12-3-4-17-40(34)45)39-16-9-15-37(30-39)43-31-44-41-18-5-7-21-46(41)52-50(44)48-42-19-6-8-22-47(42)53-49(43)48;1-45(2)38-25-28(36-27-37-34-17-9-11-19-40(34)47-44(37)42-35-18-10-12-20-41(35)48-43(36)42)21-23-32(38)33-24-22-31(26-39(33)45)46(29-13-5-3-6-14-29)30-15-7-4-8-16-30;1-3-13-26(14-4-1)41(27-15-5-2-6-16-27)35-24-23-29(28-17-7-8-18-30(28)35)33-25-34-31-19-9-11-21-36(31)42-40(34)38-32-20-10-12-22-37(32)43-39(33)38/h1-31H;1-31H;3-27H,1-2H3;1-25H
• InChIKey: IRCUXNHAEHJNCI-UHFFFAOYSA-N
• XLogP: 54.64
• TPSA: 131.22 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2565.02
LogP ≤ 5	54.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?

The IUPAC name of 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine (CID 158781362) is 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine.

What is the SMILES notation for 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?

The canonical SMILES for 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine is CC1(C)c2cc(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.c1cc(-c2cc3c4ccccc4oc3c3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1.c1ccc(N(c2ccc(-c3ccc(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)cc3)cc2)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5oc4c4c3oc3ccccc34)c3ccccc23)cc1.

What is the InChIKey of 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?

The InChIKey is IRCUXNHAEHJNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO3.C50H31NO2.C45H31NO2.C40H25NO2/c1-2-11-36(12-3-1)53(38-27-28-42-48(30-38)54-47-29-24-34-10-4-5-13-39(34)49(42)47)37-25-22-33(23-26-37)32-18-20-35(21-19-32)43-31-44-40-14-6-8-16-45(40)55-52(44)50-41-15-7-9-17-46(41)56-51(43)50;1-2-13-35-29-36(24-23-32(35)11-1)33-25-27-38(28-26-33)51(45-20-10-14-34-12-3-4-17-40(34)45)39-16-9-15-37(30-39)43-31-44-41-18-5-7-21-46(41)52-50(44)48-42-19-6-8-22-47(42)53-49(43)48;1-45(2)38-25-28(36-27-37-34-17-9-11-19-40(34)47-44(37)42-35-18-10-12-20-41(35)48-43(36)42)21-23-32(38)33-24-22-31(26-39(33)45)46(29-13-5-3-6-14-29)30-15-7-4-8-16-30;1-3-13-26(14-4-1)41(27-15-5-2-6-16-27)35-24-23-29(28-17-7-8-18-30(28)35)33-25-34-31-19-9-11-21-36(31)42-40(34)38-32-20-10-12-22-37(32)43-39(33)38/h1-31H;1-31H;3-27H,1-2H3;1-25H.

What are the key properties of 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine?

7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 2565.02 g/mol, XLogP of 54.64, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylnaphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine;N-[4-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 158781362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).