N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline

C159H131N5 — CID 159390051

IUPACN,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cnc4c(ccc5cccnc54)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3cccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1
InChIInChI=1S/C58H47N.C52H43N.C49H41N3/c1-3-14-41(15-4-1)43-28-30-49(31-29-43)59(50-21-12-18-44(38-50)42-16-5-2-6-17-42)56-27-10-8-22-51(56)45-19-11-20-46(37-45)52-24-13-26-55-57(52)53-23-7-9-25-54(53)58(55)47-33-39-32-40(35-47)36-48(58)34-39;1-3-11-37(12-4-1)39-21-25-44(26-22-39)53(45-27-23-40(24-28-45)38-13-5-2-6-14-38)46-16-9-15-41(34-46)47-18-10-20-50-51(47)48-17-7-8-19-49(48)52(50)42-30-35-29-36(32-42)33-43(52)31-35;1-48(2)40-12-5-3-10-37(40)38-19-18-35(27-43(38)48)52(36-26-32-17-16-31-9-8-20-50-46(31)47(32)51-28-36)44-15-7-14-42-45(44)39-11-4-6-13-41(39)49(42)33-22-29-21-30(24-33)25-34(49)23-29/h1-31,37-40,47-48H,32-36H2;1-28,34-36,42-43H,29-33H2;3-20,26-30,33-34H,21-25H2,1-2H3
InChIKeyLLZMNMJSEDTNLM-UHFFFAOYSA-N
MW2111.83 g/mol
LogP41.71
Rot. Bonds16

About N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline

N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline (PubChem CID 159390051) has the molecular formula C159H131N5 and a molecular weight of 2111.83 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline
PubChem CID159390051
Molecular FormulaC159H131N5
Molecular Weight2111.83 g/mol
Exact Mass2110.04
IUPAC NameN,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cnc4c(ccc5cccnc54)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3cccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1
InChIInChI=1S/C58H47N.C52H43N.C49H41N3/c1-3-14-41(15-4-1)43-28-30-49(31-29-43)59(50-21-12-18-44(38-50)42-16-5-2-6-17-42)56-27-10-8-22-51(56)45-19-11-20-46(37-45)52-24-13-26-55-57(52)53-23-7-9-25-54(53)58(55)47-33-39-32-40(35-47)36-48(58)34-39;1-3-11-37(12-4-1)39-21-25-44(26-22-39)53(45-27-23-40(24-28-45)38-13-5-2-6-14-38)46-16-9-15-41(34-46)47-18-10-20-50-51(47)48-17-7-8-19-49(48)52(50)42-30-35-29-36(32-42)33-43(52)31-35;1-48(2)40-12-5-3-10-37(40)38-19-18-35(27-43(38)48)52(36-26-32-17-16-31-9-8-20-50-46(31)47(32)51-28-36)44-15-7-14-42-45(44)39-11-4-6-13-41(39)49(42)33-22-29-21-30(24-33)25-34(49)23-29/h1-31,37-40,47-48H,32-36H2;1-28,34-36,42-43H,29-33H2;3-20,26-30,33-34H,21-25H2,1-2H3
InChIKeyLLZMNMJSEDTNLM-UHFFFAOYSA-N
XLogP41.71
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002111.83
LogP ≤ 541.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline with MolForge

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Related Compounds

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
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-4'-ylquinolin-5-amine
CID 168734191
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-2,7-diphenyl-N-[3-(3-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 167413773
N-(4-methylphenyl)-N-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline
CID 158686920
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168723059

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline?
The IUPAC name of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline (CID 159390051) is N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline?
The canonical SMILES for N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(N(c3cnc4c(ccc5cccnc54)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccccc3-c3cccc(-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline?
The InChIKey is LLZMNMJSEDTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N.C52H43N.C49H41N3/c1-3-14-41(15-4-1)43-28-30-49(31-29-43)59(50-21-12-18-44(38-50)42-16-5-2-6-17-42)56-27-10-8-22-51(56)45-19-11-20-46(37-45)52-24-13-26-55-57(52)53-23-7-9-25-54(53)58(55)47-33-39-32-40(35-47)36-48(58)34-39;1-3-11-37(12-4-1)39-21-25-44(26-22-39)53(45-27-23-40(24-28-45)38-13-5-2-6-14-38)46-16-9-15-41(34-46)47-18-10-20-50-51(47)48-17-7-8-19-49(48)52(50)42-30-35-29-36(32-42)33-43(52)31-35;1-48(2)40-12-5-3-10-37(40)38-19-18-35(27-43(38)48)52(36-26-32-17-16-31-9-8-20-50-46(31)47(32)51-28-36)44-15-7-14-42-45(44)39-11-4-6-13-41(39)49(42)33-22-29-21-30(24-33)25-34(49)23-29/h1-31,37-40,47-48H,32-36H2;1-28,34-36,42-43H,29-33H2;3-20,26-30,33-34H,21-25H2,1-2H3.
What are the key properties of N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline?
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline has a molecular weight of 2111.83 g/mol, XLogP of 41.71, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline;N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-4'-yl-1,10-phenanthrolin-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-(3-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline is sourced from PubChem (CID 159390051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).