N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

C57H39N — CID 130309112

IUPACN-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C57H39N/c1-36-32-39(38-16-4-3-5-17-38)33-37(2)56(36)58(40-28-30-46-44-20-7-6-18-42(44)43-19-8-9-21-45(43)51(46)34-40)41-29-31-50-49-24-12-15-27-54(49)57(55(50)35-41)52-25-13-10-22-47(52)48-23-11-14-26-53(48)57/h3-35H,1-2H3
InChIKeyQCRFUQWFBOJATE-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.24
Rot. Bonds4

About N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 130309112) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID130309112
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C57H39N/c1-36-32-39(38-16-4-3-5-17-38)33-37(2)56(36)58(40-28-30-46-44-20-7-6-18-42(44)43-19-8-9-21-45(43)51(46)34-40)41-29-31-50-49-24-12-15-27-54(49)57(55(50)35-41)52-25-13-10-22-47(52)48-23-11-14-26-53(48)57/h3-35H,1-2H3
InChIKeyQCRFUQWFBOJATE-UHFFFAOYSA-N
XLogP15.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-(9,9-dimethylfluoren-2-yl)-N-[2,6-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 146578858
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118298346
N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308912
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 121285858
N-(9,9-dimethylfluoren-2-yl)-N-(2,6-dimethyl-4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 146578290
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 155221159
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 130309112) is N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is QCRFUQWFBOJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-36-32-39(38-16-4-3-5-17-38)33-37(2)56(36)58(40-28-30-46-44-20-7-6-18-42(44)43-19-8-9-21-45(43)51(46)34-40)41-29-31-50-49-24-12-15-27-54(49)57(55(50)35-41)52-25-13-10-22-47(52)48-23-11-14-26-53(48)57/h3-35H,1-2H3.
What are the key properties of N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 737.95 g/mol, XLogP of 15.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 130309112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).