N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine

C239H202N4OS3 — CID 161276170

About N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine

N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine (PubChem CID 161276170) has the molecular formula C239H202N4OS3 and a molecular weight of 3242.47 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine.

Molecular Properties

• Compound Name: N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine
• PubChem CID: 161276170
• Molecular Formula: C239H202N4OS3
• Molecular Weight: 3242.47 g/mol
• Exact Mass: 3239.50
• IUPAC Name: N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2C2(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5-c5cccc6sc7ccccc7c56)cc4)cc31)C1CC3CC(C1)CC2C3.CC1(C)c2ccccc2C2(c3ccc(N(c4ccc(-c5ccccc5-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccccc5)c4)cc31)C1CC3CC(C1)CC2C3.CC1(C)c2ccccc2C2(c3ccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4ccc5ccccc5c4)cc31)C1CC3CC(C1)CC2C3
• InChI: InChI=1S/C64H55NS.C61H51NO.C61H51NS.C53H45NS/c1-62(2)53-19-9-7-16-49(53)50-30-28-45(37-57(50)62)65(44-26-24-41(25-27-44)47-14-5-6-15-48(47)51-18-13-23-60-61(51)52-17-8-12-22-59(52)66-60)46-29-31-56-58(38-46)63(3,4)54-20-10-11-21-55(54)64(56)42-33-39-32-40(35-42)36-43(64)34-39;1-60(2)53-22-9-10-23-54(53)61(44-33-39-32-40(35-44)36-45(61)34-39)55-31-30-48(38-56(55)60)62(47-17-12-16-43(37-47)41-14-4-3-5-15-41)46-28-26-42(27-29-46)49-18-6-7-19-50(49)51-21-13-25-58-59(51)52-20-8-11-24-57(52)63-58;1-60(2)53-19-9-10-20-54(53)61(44-34-39-33-40(36-44)37-45(61)35-39)55-32-31-48(38-56(55)60)62(46-27-23-42(24-28-46)41-13-4-3-5-14-41)47-29-25-43(26-30-47)49-15-6-7-16-50(49)51-18-12-22-58-59(51)52-17-8-11-21-57(52)63-58;1-52(2)46-18-6-7-19-47(46)53(38-26-33-25-34(28-38)29-39(53)27-33)48-24-23-42(32-49(48)52)54(41-22-21-35-11-3-4-12-36(35)30-41)40-14-9-13-37(31-40)43-16-10-17-45-44-15-5-8-20-50(44)55-51(43)45/h5-31,37-40,42-43H,32-36H2,1-4H3;3-31,37-40,44-45H,32-36H2,1-2H3;3-32,38-40,44-45H,33-37H2,1-2H3;3-24,30-34,38-39H,25-29H2,1-2H3
• InChIKey: VELUZTHGDRWUPU-UHFFFAOYSA-N
• XLogP: 65.62
• TPSA: 26.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3242.47
LogP ≤ 5	65.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine?

The IUPAC name of N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine (CID 161276170) is N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine.

What is the SMILES notation for N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine?

The canonical SMILES for N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5sc6ccccc6c45)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2C2(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5-c5cccc6sc7ccccc7c56)cc4)cc31)C1CC3CC(C1)CC2C3.CC1(C)c2ccccc2C2(c3ccc(N(c4ccc(-c5ccccc5-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccccc5)c4)cc31)C1CC3CC(C1)CC2C3.CC1(C)c2ccccc2C2(c3ccc(N(c4cccc(-c5cccc6c5sc5ccccc56)c4)c4ccc5ccccc5c4)cc31)C1CC3CC(C1)CC2C3.

What is the InChIKey of N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine?

The InChIKey is VELUZTHGDRWUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55NS.C61H51NO.C61H51NS.C53H45NS/c1-62(2)53-19-9-7-16-49(53)50-30-28-45(37-57(50)62)65(44-26-24-41(25-27-44)47-14-5-6-15-48(47)51-18-13-23-60-61(51)52-17-8-12-22-59(52)66-60)46-29-31-56-58(38-46)63(3,4)54-20-10-11-21-55(54)64(56)42-33-39-32-40(35-42)36-43(64)34-39;1-60(2)53-22-9-10-23-54(53)61(44-33-39-32-40(35-44)36-45(61)34-39)55-31-30-48(38-56(55)60)62(47-17-12-16-43(37-47)41-14-4-3-5-15-41)46-28-26-42(27-29-46)49-18-6-7-19-50(49)51-21-13-25-58-59(51)52-20-8-11-24-57(52)63-58;1-60(2)53-19-9-10-20-54(53)61(44-34-39-33-40(36-44)37-45(61)35-39)55-32-31-48(38-56(55)60)62(46-27-23-42(24-28-46)41-13-4-3-5-14-41)47-29-25-43(26-30-47)49-15-6-7-16-50(49)51-18-12-22-58-59(51)52-17-8-11-21-57(52)63-58;1-52(2)46-18-6-7-19-47(46)53(38-26-33-25-34(28-38)29-39(53)27-33)48-24-23-42(32-49(48)52)54(41-22-21-35-11-3-4-12-36(35)30-41)40-14-9-13-37(31-40)43-16-10-17-45-44-15-5-8-20-50(44)55-51(43)45/h5-31,37-40,42-43H,32-36H2,1-4H3;3-31,37-40,44-45H,32-36H2,1-2H3;3-32,38-40,44-45H,33-37H2,1-2H3;3-24,30-34,38-39H,25-29H2,1-2H3.

What are the key properties of N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine?

N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine has a molecular weight of 3242.47 g/mol, XLogP of 65.62, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(3-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine;N-(3-dibenzothiophen-4-ylphenyl)-9',9'-dimethyl-N-naphthalen-2-ylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethylspiro[adamantane-2,10'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-9',9'-dimethyl-N-(4-phenylphenyl)spiro[adamantane-2,10'-anthracene]-2'-amine is sourced from PubChem (CID 161276170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).