N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine

C164H129N5O3S — CID 161251793

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine (PubChem CID 161251793) has the molecular formula C164H129N5O3S and a molecular weight of 2249.93 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine
• PubChem CID: 161251793
• Molecular Formula: C164H129N5O3S
• Molecular Weight: 2249.93 g/mol
• Exact Mass: 2247.98
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc2c(c1)Oc1ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4ccccc34)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)Oc1ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4ccccc34)cc1C21C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C58H46N2O.C56H44N2O.C50H39NOS/c1-2-11-40(12-3-1)41-21-25-46(26-22-41)59(49-29-30-57-53(37-49)58(52-17-6-9-20-56(52)61-57)44-32-38-31-39(34-44)35-45(58)33-38)47-27-23-42(24-28-47)43-13-10-14-48(36-43)60-54-18-7-4-15-50(54)51-16-5-8-19-55(51)60;1-2-12-46-40(10-1)11-9-18-51(46)57(45-28-29-55-50(35-45)56(49-15-5-8-19-54(49)59-55)41-31-36-30-37(33-41)34-42(56)32-36)43-24-20-38(21-25-43)39-22-26-44(27-23-39)58-52-16-6-3-13-47(52)48-14-4-7-17-53(48)58;1-2-10-40-34(8-1)9-7-13-45(40)51(38-19-16-33(17-20-38)35-18-22-42-41-11-3-6-15-48(41)53-49(42)29-35)39-21-23-47-44(30-39)50(43-12-4-5-14-46(43)52-47)36-25-31-24-32(27-36)28-37(50)26-31/h1-30,36-39,44-45H,31-35H2;1-29,35-37,41-42H,30-34H2;1-23,29-32,36-37H,24-28H2
• InChIKey: VBJGANIHXHCRAE-UHFFFAOYSA-N
• XLogP: 44.55
• TPSA: 47.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2249.93
LogP ≤ 5	44.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine (CID 161251793) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc4c(c3)C3(c5ccccc5O4)C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc2c(c1)Oc1ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4ccccc34)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)Oc1ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3cccc4ccccc34)cc1C21C2CC3CC(C2)CC1C3.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine?

The InChIKey is VBJGANIHXHCRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2O.C56H44N2O.C50H39NOS/c1-2-11-40(12-3-1)41-21-25-46(26-22-41)59(49-29-30-57-53(37-49)58(52-17-6-9-20-56(52)61-57)44-32-38-31-39(34-44)35-45(58)33-38)47-27-23-42(24-28-47)43-13-10-14-48(36-43)60-54-18-7-4-15-50(54)51-16-5-8-19-55(51)60;1-2-12-46-40(10-1)11-9-18-51(46)57(45-28-29-55-50(35-45)56(49-15-5-8-19-54(49)59-55)41-31-36-30-37(33-41)34-42(56)32-36)43-24-20-38(21-25-43)39-22-26-44(27-23-39)58-52-16-6-3-13-47(52)48-14-4-7-17-53(48)58;1-2-10-40-34(8-1)9-7-13-45(40)51(38-19-16-33(17-20-38)35-18-22-42-41-11-3-6-15-48(41)53-49(42)29-35)39-21-23-47-44(30-39)50(43-12-4-5-14-46(43)52-47)36-25-31-24-32(27-36)28-37(50)26-31/h1-30,36-39,44-45H,31-35H2;1-29,35-37,41-42H,30-34H2;1-23,29-32,36-37H,24-28H2.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine has a molecular weight of 2249.93 g/mol, XLogP of 44.55, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine is sourced from PubChem (CID 161251793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).