N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

C67H43N — CID 130308524

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C67H43N/c1-3-18-44(19-4-1)47-40-48(45-20-5-2-6-21-45)42-49(41-47)46-34-36-50(37-35-46)68(51-38-39-56-54-24-8-7-22-52(54)53-23-9-10-25-55(53)60(56)43-51)65-33-17-32-64-66(65)59-28-13-16-31-63(59)67(64)61-29-14-11-26-57(61)58-27-12-15-30-62(58)67/h1-43H
InChIKeyYDJVRQNHNNXXGZ-UHFFFAOYSA-N
MW862.09 g/mol
LogP17.96
Rot. Bonds6

About N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 130308524) has the molecular formula C67H43N and a molecular weight of 862.09 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID130308524
Molecular FormulaC67H43N
Molecular Weight862.09 g/mol
Exact Mass861.34
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C67H43N/c1-3-18-44(19-4-1)47-40-48(45-20-5-2-6-21-45)42-49(41-47)46-34-36-50(37-35-46)68(51-38-39-56-54-24-8-7-22-52(54)53-23-9-10-25-55(53)60(56)43-51)65-33-17-32-64-66(65)59-28-13-16-31-63(59)67(64)61-29-14-11-26-57(61)58-27-12-15-30-62(58)67/h1-43H
InChIKeyYDJVRQNHNNXXGZ-UHFFFAOYSA-N
XLogP17.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.09
LogP ≤ 517.96
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-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
CID 158813700
CID 158813700
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308534
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
CID 118153763
CID 118153763
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130309128
N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 158668118
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 130308524) is N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is YDJVRQNHNNXXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N/c1-3-18-44(19-4-1)47-40-48(45-20-5-2-6-21-45)42-49(41-47)46-34-36-50(37-35-46)68(51-38-39-56-54-24-8-7-22-52(54)53-23-9-10-25-55(53)60(56)43-51)65-33-17-32-64-66(65)59-28-13-16-31-63(59)67(64)61-29-14-11-26-57(61)58-27-12-15-30-62(58)67/h1-43H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 862.09 g/mol, XLogP of 17.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 130308524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).