N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine

C163H128N4S — CID 163673902

About N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine

N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine (PubChem CID 163673902) has the molecular formula C163H128N4S and a molecular weight of 2174.91 g/mol. Its IUPAC name is N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

• Compound Name: N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
• PubChem CID: 163673902
• Molecular Formula: C163H128N4S
• Molecular Weight: 2174.91 g/mol
• Exact Mass: 2172.99
• IUPAC Name: N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4)c4ccc5ccccc5c4)cc32)cc1.c1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccccc1C2c1ccc(N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C57H45N.C56H44N2.C50H39NS/c1-2-10-41-34-47(27-19-38(41)9-1)58(46-25-20-40(21-26-46)56-51-14-5-3-11-48(51)49-12-4-6-15-52(49)56)45-23-17-39(18-24-45)42-22-28-55-53(35-42)50-13-7-8-16-54(50)57(55)43-30-36-29-37(32-43)33-44(57)31-36;1-2-12-44(13-3-1)58-54-17-9-7-15-49(54)50-26-25-47(35-55(50)58)57(46-24-20-38-10-4-5-11-40(38)33-46)45-22-18-39(19-23-45)41-21-27-53-51(34-41)48-14-6-8-16-52(48)56(53)42-29-36-28-37(31-42)32-43(56)30-36;1-2-8-35-28-40(19-15-33(35)7-1)51(41-20-21-44-43-10-4-6-12-48(43)52-49(44)30-41)39-17-13-34(14-18-39)36-16-22-47-45(29-36)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31/h1-28,34-37,43-44,56H,29-33H2;1-27,33-37,42-43H,28-32H2;1-22,28-32,37-38H,23-27H2
• InChIKey: JEYYGGMHXIRVFS-UHFFFAOYSA-N
• XLogP: 43.72
• TPSA: 14.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2174.91
LogP ≤ 5	43.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

The IUPAC name of N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine (CID 163673902) is N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine.

What is the SMILES notation for N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

The canonical SMILES for N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4)c4ccc5ccccc5c4)cc32)cc1.c1ccc2c(c1)-c1cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccccc1C2c1ccc(N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

The InChIKey is JEYYGGMHXIRVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N.C56H44N2.C50H39NS/c1-2-10-41-34-47(27-19-38(41)9-1)58(46-25-20-40(21-26-46)56-51-14-5-3-11-48(51)49-12-4-6-15-52(49)56)45-23-17-39(18-24-45)42-22-28-55-53(35-42)50-13-7-8-16-54(50)57(55)43-30-36-29-37(32-43)33-44(57)31-36;1-2-12-44(13-3-1)58-54-17-9-7-15-49(54)50-26-25-47(35-55(50)58)57(46-24-20-38-10-4-5-11-40(38)33-46)45-22-18-39(19-23-45)41-21-27-53-51(34-41)48-14-6-8-16-52(48)56(53)42-29-36-28-37(31-42)32-43(56)30-36;1-2-8-35-28-40(19-15-33(35)7-1)51(41-20-21-44-43-10-4-6-12-48(43)52-49(44)30-41)39-17-13-34(14-18-39)36-16-22-47-45(29-36)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31/h1-28,34-37,43-44,56H,29-33H2;1-27,33-37,42-43H,28-32H2;1-22,28-32,37-38H,23-27H2.

What are the key properties of N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 2174.91 g/mol, XLogP of 43.72, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 163673902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).