N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C165H111N3 — CID 167625176

IUPACN-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5cc5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/2C57H37N.C51H37N/c1-3-13-42-35-44(23-21-38(42)11-1)40-25-29-46(30-26-40)58(47-31-27-41(28-32-47)45-24-22-39-12-2-4-14-43(39)36-45)48-33-34-52-51-17-7-10-20-55(51)57(56(52)37-48)53-18-8-5-15-49(53)50-16-6-9-19-54(50)57;1-2-14-38(15-3-1)39-26-30-43(31-27-39)58(44-32-28-40(29-33-44)56-46-18-6-4-16-41(46)36-42-17-5-7-19-47(42)56)45-34-35-51-50-22-10-13-25-54(50)57(55(51)37-45)52-23-11-8-20-48(52)49-21-9-12-24-53(49)57;1-34-15-19-36(20-16-34)38-23-27-40(28-24-38)52(41-29-25-39(26-30-41)37-21-17-35(2)18-22-37)42-31-32-46-45-11-5-8-14-49(45)51(50(46)33-42)47-12-6-3-9-43(47)44-10-4-7-13-48(44)51/h2*1-37H;3-33H,1-2H3
InChIKeyMZRACQICMQMVPJ-UHFFFAOYSA-N
MW2135.72 g/mol
LogP43.73
Rot. Bonds15

About N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 167625176) has the molecular formula C165H111N3 and a molecular weight of 2135.72 g/mol. Its IUPAC name is N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID167625176
Molecular FormulaC165H111N3
Molecular Weight2135.72 g/mol
Exact Mass2133.88
IUPAC NameN-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5cc5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/2C57H37N.C51H37N/c1-3-13-42-35-44(23-21-38(42)11-1)40-25-29-46(30-26-40)58(47-31-27-41(28-32-47)45-24-22-39-12-2-4-14-43(39)36-45)48-33-34-52-51-17-7-10-20-55(51)57(56(52)37-48)53-18-8-5-15-49(53)50-16-6-9-19-54(50)57;1-2-14-38(15-3-1)39-26-30-43(31-27-39)58(44-32-28-40(29-33-44)56-46-18-6-4-16-41(46)36-42-17-5-7-19-47(42)56)45-34-35-51-50-22-10-13-25-54(50)57(55(51)37-45)52-23-11-8-20-48(52)49-21-9-12-24-53(49)57;1-34-15-19-36(20-16-34)38-23-27-40(28-24-38)52(41-29-25-39(26-30-41)37-21-17-35(2)18-22-37)42-31-32-46-45-11-5-8-14-49(45)51(50(46)33-42)47-12-6-3-9-43(47)44-10-4-7-13-48(44)51/h2*1-37H;3-33H,1-2H3
InChIKeyMZRACQICMQMVPJ-UHFFFAOYSA-N
XLogP43.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002135.72
LogP ≤ 543.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]-1-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 158431824
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298615

Frequently Asked Questions

What is the IUPAC name of N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 167625176) is N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4c5ccccc5cc5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is MZRACQICMQMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H37N.C51H37N/c1-3-13-42-35-44(23-21-38(42)11-1)40-25-29-46(30-26-40)58(47-31-27-41(28-32-47)45-24-22-39-12-2-4-14-43(39)36-45)48-33-34-52-51-17-7-10-20-55(51)57(56(52)37-48)53-18-8-5-15-49(53)50-16-6-9-19-54(50)57;1-2-14-38(15-3-1)39-26-30-43(31-27-39)58(44-32-28-40(29-33-44)56-46-18-6-4-16-41(46)36-42-17-5-7-19-47(42)56)45-34-35-51-50-22-10-13-25-54(50)57(55(51)37-45)52-23-11-8-20-48(52)49-21-9-12-24-53(49)57;1-34-15-19-36(20-16-34)38-23-27-40(28-24-38)52(41-29-25-39(26-30-41)37-21-17-35(2)18-22-37)42-31-32-46-45-11-5-8-14-49(45)51(50(46)33-42)47-12-6-3-9-43(47)44-10-4-7-13-48(44)51/h2*1-37H;3-33H,1-2H3.
What are the key properties of N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2135.72 g/mol, XLogP of 43.73, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anthracen-9-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 167625176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).