N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine

C61H41N — CID 142567679

IUPACN,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H41N/c1-4-16-46(17-5-1)61(47-18-6-2-7-19-47)59-27-15-14-26-56(59)57-39-37-50(41-60(57)61)62(48-20-8-3-9-21-48)49-35-32-43(33-36-49)42-28-30-44(31-29-42)45-34-38-55-53-24-11-10-22-51(53)52-23-12-13-25-54(52)58(55)40-45/h1-41H
InChIKeyHXNRZTXFEFXXIL-UHFFFAOYSA-N
MW788.01 g/mol
LogP16.31
Rot. Bonds7

About N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 142567679) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
PubChem CID142567679
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC NameN,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H41N/c1-4-16-46(17-5-1)61(47-18-6-2-7-19-47)59-27-15-14-26-56(59)57-39-37-50(41-60(57)61)62(48-20-8-3-9-21-48)49-35-32-43(33-36-49)42-28-30-44(31-29-42)45-34-38-55-53-24-11-10-22-51(53)52-23-12-13-25-54(52)58(55)40-45/h1-41H
InChIKeyHXNRZTXFEFXXIL-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 516.31
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-(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,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
N-[4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 89492077
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308912
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)-6-[6-[3-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]dibenzofuran-3-yl]triphenylen-2-amine
CID 137492501

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine (CID 142567679) is N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is HXNRZTXFEFXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-4-16-46(17-5-1)61(47-18-6-2-7-19-47)59-27-15-14-26-56(59)57-39-37-50(41-60(57)61)62(48-20-8-3-9-21-48)49-35-32-43(33-36-49)42-28-30-44(31-29-42)45-34-38-55-53-24-11-10-22-51(53)52-23-12-13-25-54(52)58(55)40-45/h1-41H.
What are the key properties of N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 788.01 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 142567679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).