N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane

C170H137N7OS — CID 163790802

About N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane

N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane (PubChem CID 163790802) has the molecular formula C170H137N7OS and a molecular weight of 2326.08 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane.

Molecular Properties

• Compound Name: N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane
• PubChem CID: 163790802
• Molecular Formula: C170H137N7OS
• Molecular Weight: 2326.08 g/mol
• Exact Mass: 2324.06
• IUPAC Name: N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane
• SMILES: C.C.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1C21C2CC3CC(C2)CC1C3
• InChI: InChI=1S/2C58H45N3.C52H39NOS.2CH4/c1-6-16-52-46(11-1)51-36-45(29-30-53(51)58(52)39-32-37-31-38(34-39)35-40(58)33-37)59(41-21-25-43(26-22-41)60-54-17-7-2-12-47(54)48-13-3-8-18-55(48)60)42-23-27-44(28-24-42)61-56-19-9-4-14-49(56)50-15-5-10-20-57(50)61;1-2-12-41(13-3-1)61-56-21-11-7-17-49(56)50-28-26-45(36-57(50)61)59(42-22-24-43(25-23-42)60-54-19-9-5-15-47(54)48-16-6-10-20-55(48)60)44-27-29-53-51(35-44)46-14-4-8-18-52(46)58(53)39-31-37-30-38(33-39)34-40(58)32-37;1-4-13-46-40(8-1)45-29-37(21-23-47(45)52(46)34-25-31-24-32(27-34)28-35(52)26-31)53(38-20-22-43-42-10-3-6-15-49(42)55-50(43)30-38)36-18-16-33(17-19-36)39-11-7-12-44-41-9-2-5-14-48(41)54-51(39)44;;/h1-30,36-40H,31-35H2;1-29,35-40H,30-34H2;1-23,29-32,34-35H,24-28H2;2*1H4
• InChIKey: MWNZEAHEYDSTLW-UHFFFAOYSA-N
• XLogP: 46.23
• TPSA: 42.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2326.08
LogP ≤ 5	46.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane?

The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane (CID 163790802) is N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane.

What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane?

The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane is C.C.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc32)cc1.c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc1C21C2CC3CC(C2)CC1C3.

What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane?

The InChIKey is MWNZEAHEYDSTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H45N3.C52H39NOS.2CH4/c1-6-16-52-46(11-1)51-36-45(29-30-53(51)58(52)39-32-37-31-38(34-39)35-40(58)33-37)59(41-21-25-43(26-22-41)60-54-17-7-2-12-47(54)48-13-3-8-18-55(48)60)42-23-27-44(28-24-42)61-56-19-9-4-14-49(56)50-15-5-10-20-57(50)61;1-2-12-41(13-3-1)61-56-21-11-7-17-49(56)50-28-26-45(36-57(50)61)59(42-22-24-43(25-23-42)60-54-19-9-5-15-47(54)48-16-6-10-20-55(48)60)44-27-29-53-51(35-44)46-14-4-8-18-52(46)58(53)39-31-37-30-38(33-39)34-40(58)32-37;1-4-13-46-40(8-1)45-29-37(21-23-47(45)52(46)34-25-31-24-32(27-34)28-35(52)26-31)53(38-20-22-43-42-10-3-6-15-49(42)55-50(43)30-38)36-18-16-33(17-19-36)39-11-7-12-44-41-9-2-5-14-48(41)54-51(39)44;;/h1-30,36-40H,31-35H2;1-29,35-40H,30-34H2;1-23,29-32,34-35H,24-28H2;2*1H4.

What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane?

N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane has a molecular weight of 2326.08 g/mol, XLogP of 46.23, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-carbazol-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine;methane is sourced from PubChem (CID 163790802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).