N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine

C138H113N3OS — CID 159080840

About N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine

N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine (PubChem CID 159080840) has the molecular formula C138H113N3OS and a molecular weight of 1861.51 g/mol. Its IUPAC name is N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine.

Molecular Properties

• Compound Name: N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine
• PubChem CID: 159080840
• Molecular Formula: C138H113N3OS
• Molecular Weight: 1861.51 g/mol
• Exact Mass: 1859.86
• IUPAC Name: N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine
• SMILES: c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1
• InChI: InChI=1S/C46H37NO.C46H37NS.C46H39N/c2*1-2-11-31(12-3-1)35-13-5-8-18-41(35)47(34-21-22-37-36-14-6-9-20-43(36)48-44(37)28-34)42-19-10-17-40-45(42)38-15-4-7-16-39(38)46(40)32-24-29-23-30(26-32)27-33(46)25-29;1-3-12-33(13-4-1)35-16-9-18-39(29-35)47(40-19-10-17-36(30-40)34-14-5-2-6-15-34)44-23-11-22-43-45(44)41-20-7-8-21-42(41)46(43)37-25-31-24-32(27-37)28-38(46)26-31/h2*1-22,28-30,32-33H,23-27H2;1-23,29-32,37-38H,24-28H2
• InChIKey: KAVISSCDSGTPLS-UHFFFAOYSA-N
• XLogP: 37.57
• TPSA: 22.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1861.51
LogP ≤ 5	37.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine (CID 159080840) is N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine.

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

The canonical SMILES for N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1.

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

The InChIKey is KAVISSCDSGTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37NO.C46H37NS.C46H39N/c2*1-2-11-31(12-3-1)35-13-5-8-18-41(35)47(34-21-22-37-36-14-6-9-20-43(36)48-44(37)28-34)42-19-10-17-40-45(42)38-15-4-7-16-39(38)46(40)32-24-29-23-30(26-32)27-33(46)25-29;1-3-12-33(13-4-1)35-16-9-18-39(29-35)47(40-19-10-17-36(30-40)34-14-5-2-6-15-34)44-23-11-22-43-45(44)41-20-7-8-21-42(41)46(43)37-25-31-24-32(27-37)28-38(46)26-31/h2*1-22,28-30,32-33H,23-27H2;1-23,29-32,37-38H,24-28H2.

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

N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine has a molecular weight of 1861.51 g/mol, XLogP of 37.57, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzothiophen-3-amine is sourced from PubChem (CID 159080840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).