N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine

C116H90N2S2 — CID 159214980

IUPACN,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5cc(-c6cccc7c6C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1
InChIInChI=1S/2C58H45NS/c1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-55-53(36-48)51-28-22-43(35-56(51)60-55)49-15-9-16-52-50-14-7-8-17-54(50)58(57(49)52)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37/h1-29,35-38,44-45H,30-34H2;1-28,34-38,45-46H,29-33H2
InChIKeyKQYLLPMOBHMVKZ-UHFFFAOYSA-N
MW1576.14 g/mol
LogP32.50
Rot. Bonds12

About N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine

N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine (PubChem CID 159214980) has the molecular formula C116H90N2S2 and a molecular weight of 1576.14 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
PubChem CID159214980
Molecular FormulaC116H90N2S2
Molecular Weight1576.14 g/mol
Exact Mass1574.65
IUPAC NameN,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5cc(-c6cccc7c6C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1
InChIInChI=1S/2C58H45NS/c1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-55-53(36-48)51-28-22-43(35-56(51)60-55)49-15-9-16-52-50-14-7-8-17-54(50)58(57(49)52)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37/h1-29,35-38,44-45H,30-34H2;1-28,34-38,45-46H,29-33H2
InChIKeyKQYLLPMOBHMVKZ-UHFFFAOYSA-N
XLogP32.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001576.14
LogP ≤ 532.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine with MolForge

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Related Compounds

N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine
CID 157099087
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-ylcarbazol-3-amine
CID 159384155
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;methane;N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163650615
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163601569
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
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 161287905
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-dibenzofuran-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;methane
CID 163636207
2-[4-(6'-dibenzothiophen-2-ylspiro[adamantane-2,9'-fluorene]-1'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803630
N-(4-phenylphenyl)-N-[4-[4-(3-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 156568159

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine (CID 159214980) is N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5cc(-c6cccc7c6C6(c8ccccc8-7)C7CC8CC(C7)CC6C8)ccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC(C7)CC6C8)cc5c4c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine?
The InChIKey is KQYLLPMOBHMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H45NS/c1-3-10-39(11-4-1)41-18-23-46(24-19-41)59(47-25-20-42(21-26-47)40-12-5-2-6-13-40)48-27-29-55-53(36-48)51-28-22-43(35-56(51)60-55)49-15-9-16-52-50-14-7-8-17-54(50)58(57(49)52)44-31-37-30-38(33-44)34-45(58)32-37;1-3-9-39(10-4-1)41-15-21-47(22-16-41)59(48-23-17-42(18-24-48)40-11-5-2-6-12-40)49-25-28-57-53(36-49)52-35-44(20-27-56(52)60-57)43-19-26-55-51(34-43)50-13-7-8-14-54(50)58(55)45-30-37-29-38(32-45)33-46(58)31-37/h1-29,35-38,44-45H,30-34H2;1-28,34-38,45-46H,29-33H2.
What are the key properties of N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine?
N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine has a molecular weight of 1576.14 g/mol, XLogP of 32.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine is sourced from PubChem (CID 159214980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).