N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine

C169H139N3S — CID 159069611

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/2C57H47N.C55H45NS/c1-56(2)50-14-7-5-12-47(50)48-27-25-44(34-53(48)56)58(43-23-20-37(21-24-43)39-22-26-46-40(33-39)19-18-38-10-3-4-11-45(38)46)54-17-9-16-52-55(54)49-13-6-8-15-51(49)57(52)41-29-35-28-36(31-41)32-42(57)30-35;1-56(2)50-18-9-7-16-46(50)47-27-26-42(34-53(47)56)58(41-24-22-37(23-25-41)49-33-38-12-3-4-13-43(38)44-14-5-6-15-45(44)49)54-21-11-20-52-55(54)48-17-8-10-19-51(48)57(52)39-29-35-28-36(31-39)32-40(57)30-35;1-54(2)46-16-6-3-11-41(46)42-26-25-39(32-49(42)54)56(38-23-21-35(22-24-38)40-14-9-15-44-43-12-5-8-20-51(43)57-53(40)44)50-19-10-18-48-52(50)45-13-4-7-17-47(45)55(48)36-28-33-27-34(30-36)31-37(55)29-33/h3-27,33-36,41-42H,28-32H2,1-2H3;3-27,33-36,39-40H,28-32H2,1-2H3;3-26,32-34,36-37H,27-31H2,1-2H3
InChIKeyJZMBCZAWRATPFL-UHFFFAOYSA-N
MW2244.06 g/mol
LogP45.54
Rot. Bonds12

About N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 159069611) has the molecular formula C169H139N3S and a molecular weight of 2244.06 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID159069611
Molecular FormulaC169H139N3S
Molecular Weight2244.06 g/mol
Exact Mass2242.07
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/2C57H47N.C55H45NS/c1-56(2)50-14-7-5-12-47(50)48-27-25-44(34-53(48)56)58(43-23-20-37(21-24-43)39-22-26-46-40(33-39)19-18-38-10-3-4-11-45(38)46)54-17-9-16-52-55(54)49-13-6-8-15-51(49)57(52)41-29-35-28-36(31-41)32-42(57)30-35;1-56(2)50-18-9-7-16-46(50)47-27-26-42(34-53(47)56)58(41-24-22-37(23-25-41)49-33-38-12-3-4-13-43(38)44-14-5-6-15-45(44)49)54-21-11-20-52-55(54)48-17-8-10-19-51(48)57(52)39-29-35-28-36(31-39)32-40(57)30-35;1-54(2)46-16-6-3-11-41(46)42-26-25-39(32-49(42)54)56(38-23-21-35(22-24-38)40-14-9-15-44-43-12-5-8-20-51(43)57-53(40)44)50-19-10-18-48-52(50)45-13-4-7-17-47(45)55(48)36-28-33-27-34(30-36)31-37(55)29-33/h3-27,33-36,41-42H,28-32H2,1-2H3;3-27,33-36,39-40H,28-32H2,1-2H3;3-26,32-34,36-37H,27-31H2,1-2H3
InChIKeyJZMBCZAWRATPFL-UHFFFAOYSA-N
XLogP45.54
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002244.06
LogP ≤ 545.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158696745
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217331
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567394
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722937
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-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 158875023
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168801821
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464879
N-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 156573632
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 159069611) is N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is JZMBCZAWRATPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H47N.C55H45NS/c1-56(2)50-14-7-5-12-47(50)48-27-25-44(34-53(48)56)58(43-23-20-37(21-24-43)39-22-26-46-40(33-39)19-18-38-10-3-4-11-45(38)46)54-17-9-16-52-55(54)49-13-6-8-15-51(49)57(52)41-29-35-28-36(31-41)32-42(57)30-35;1-56(2)50-18-9-7-16-46(50)47-27-26-42(34-53(47)56)58(41-24-22-37(23-25-41)49-33-38-12-3-4-13-43(38)44-14-5-6-15-45(44)49)54-21-11-20-52-55(54)48-17-8-10-19-51(48)57(52)39-29-35-28-36(31-39)32-40(57)30-35;1-54(2)46-16-6-3-11-41(46)42-26-25-39(32-49(42)54)56(38-23-21-35(22-24-38)40-14-9-15-44-43-12-5-8-20-51(43)57-53(40)44)50-19-10-18-48-52(50)45-13-4-7-17-47(45)55(48)36-28-33-27-34(30-36)31-37(55)29-33/h3-27,33-36,41-42H,28-32H2,1-2H3;3-27,33-36,39-40H,28-32H2,1-2H3;3-26,32-34,36-37H,27-31H2,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 2244.06 g/mol, XLogP of 45.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 159069611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).