N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine

C156H125N3OS — CID 158482387

About N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine

N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine (PubChem CID 158482387) has the molecular formula C156H125N3OS and a molecular weight of 2089.80 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
• PubChem CID: 158482387
• Molecular Formula: C156H125N3OS
• Molecular Weight: 2089.80 g/mol
• Exact Mass: 2087.95
• IUPAC Name: N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
• InChI: InChI=1S/C52H41NO.C52H41NS.C52H43N/c2*1-2-9-35(10-3-1)36-17-20-41(21-18-36)53(43-22-23-46-45-14-5-7-16-50(45)54-51(46)32-43)42-12-8-11-37(30-42)38-19-24-49-47(31-38)44-13-4-6-15-48(44)52(49)39-26-33-25-34(28-39)29-40(52)27-33;1-3-10-37(11-4-1)39-18-23-45(24-19-39)53(46-25-20-40(21-26-46)38-12-5-2-6-13-38)47-15-9-14-41(33-47)42-22-27-51-49(34-42)48-16-7-8-17-50(48)52(51)43-29-35-28-36(31-43)32-44(52)30-35/h2*1-24,30-34,39-40H,25-29H2;1-27,33-36,43-44H,28-32H2
• InChIKey: HHRDWQSBIAQVQO-UHFFFAOYSA-N
• XLogP: 42.57
• TPSA: 22.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2089.80
LogP ≤ 5	42.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

The IUPAC name of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine (CID 158482387) is N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

The canonical SMILES for N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

The InChIKey is HHRDWQSBIAQVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41NO.C52H41NS.C52H43N/c2*1-2-9-35(10-3-1)36-17-20-41(21-18-36)53(43-22-23-46-45-14-5-7-16-50(45)54-51(46)32-43)42-12-8-11-37(30-42)38-19-24-49-47(31-38)44-13-4-6-15-48(44)52(49)39-26-33-25-34(28-39)29-40(52)27-33;1-3-10-37(11-4-1)39-18-23-45(24-19-39)53(46-25-20-40(21-26-46)38-12-5-2-6-13-38)47-15-9-14-41(33-47)42-22-27-51-49(34-42)48-16-7-8-17-50(48)52(51)43-29-35-28-36(31-43)32-44(52)30-35/h2*1-24,30-34,39-40H,25-29H2;1-27,33-36,43-44H,28-32H2.

What are the key properties of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine?

N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 2089.80 g/mol, XLogP of 42.57, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 158482387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).