9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C170H143N3O — CID 159494511

IUPAC9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cccc21.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2-c2ccccc2C3(C)C)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C61H51N.C56H49N.C53H43NO/c1-60(2)54-20-11-10-19-51(54)59-57(60)22-13-23-58(59)62(47-27-24-42(25-28-47)41-14-5-3-6-15-41)48-29-30-49(52(38-48)43-16-7-4-8-17-43)44-26-31-56-53(37-44)50-18-9-12-21-55(50)61(56)45-33-39-32-40(35-45)36-46(61)34-39;1-35-28-44(25-26-45(35)40-22-27-51-48(34-40)46-14-7-10-17-50(46)56(51)41-30-36-29-37(32-41)33-42(56)31-36)57(43-23-20-39(21-24-43)38-12-5-4-6-13-38)53-19-11-18-52-54(53)47-15-8-9-16-49(47)55(52,2)3;1-33-26-42(54(41-21-18-37(19-22-41)36-10-3-2-4-11-36)50-16-9-14-46-45-13-6-8-17-51(45)55-52(46)50)23-24-43(33)38-20-25-49-47(32-38)44-12-5-7-15-48(44)53(49)39-28-34-27-35(30-39)31-40(53)29-34/h3-31,37-40,45-46H,32-36H2,1-2H3;4-28,34,36-37,41-42H,29-33H2,1-3H3;2-26,32,34-35,39-40H,27-31H2,1H3
InChIKeyLYPPKYFLRIUORN-UHFFFAOYSA-N
MW2244.03 g/mol
LogP45.43
Rot. Bonds16

About 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 159494511) has the molecular formula C170H143N3O and a molecular weight of 2244.03 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID159494511
Molecular FormulaC170H143N3O
Molecular Weight2244.03 g/mol
Exact Mass2242.12
IUPAC Name9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cccc21.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2-c2ccccc2C3(C)C)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C61H51N.C56H49N.C53H43NO/c1-60(2)54-20-11-10-19-51(54)59-57(60)22-13-23-58(59)62(47-27-24-42(25-28-47)41-14-5-3-6-15-41)48-29-30-49(52(38-48)43-16-7-4-8-17-43)44-26-31-56-53(37-44)50-18-9-12-21-55(50)61(56)45-33-39-32-40(35-45)36-46(61)34-39;1-35-28-44(25-26-45(35)40-22-27-51-48(34-40)46-14-7-10-17-50(46)56(51)41-30-36-29-37(32-41)33-42(56)31-36)57(43-23-20-39(21-24-43)38-12-5-4-6-13-38)53-19-11-18-52-54(53)47-15-8-9-16-49(47)55(52,2)3;1-33-26-42(54(41-21-18-37(19-22-41)36-10-3-2-4-11-36)50-16-9-14-46-45-13-6-8-17-51(45)55-52(46)50)23-24-43(33)38-20-25-49-47(32-38)44-12-5-7-15-48(44)53(49)39-28-34-27-35(30-39)31-40(53)29-34/h3-31,37-40,45-46H,32-36H2,1-2H3;4-28,34,36-37,41-42H,29-33H2,1-3H3;2-26,32,34-35,39-40H,27-31H2,1H3
InChIKeyLYPPKYFLRIUORN-UHFFFAOYSA-N
XLogP45.43
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms174
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002244.03
LogP ≤ 545.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 159494511) is 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)cccc21.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2-c2ccccc2C3(C)C)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is LYPPKYFLRIUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N.C56H49N.C53H43NO/c1-60(2)54-20-11-10-19-51(54)59-57(60)22-13-23-58(59)62(47-27-24-42(25-28-47)41-14-5-3-6-15-41)48-29-30-49(52(38-48)43-16-7-4-8-17-43)44-26-31-56-53(37-44)50-18-9-12-21-55(50)61(56)45-33-39-32-40(35-45)36-46(61)34-39;1-35-28-44(25-26-45(35)40-22-27-51-48(34-40)46-14-7-10-17-50(46)56(51)41-30-36-29-37(32-41)33-42(56)31-36)57(43-23-20-39(21-24-43)38-12-5-4-6-13-38)53-19-11-18-52-54(53)47-15-8-9-16-49(47)55(52,2)3;1-33-26-42(54(41-21-18-37(19-22-41)36-10-3-2-4-11-36)50-16-9-14-46-45-13-6-8-17-51(45)55-52(46)50)23-24-43(33)38-20-25-49-47(32-38)44-12-5-7-15-48(44)53(49)39-28-34-27-35(30-39)31-40(53)29-34/h3-31,37-40,45-46H,32-36H2,1-2H3;4-28,34,36-37,41-42H,29-33H2,1-3H3;2-26,32,34-35,39-40H,27-31H2,1H3.
What are the key properties of 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 2244.03 g/mol, XLogP of 45.43, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine;N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 159494511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).