6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine

C60H43N — CID 89083812

IUPAC6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
SMILESC1=CC(c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7c(cccc57)CC6)ccc4c3c2-c2ccccc2)=CCC1
InChIInChI=1S/C60H43N/c1-5-16-40(17-6-1)41-30-33-47(34-31-41)61(56-37-32-46-29-28-45-24-15-27-52(56)57(45)46)48-35-36-51-55(38-48)49-25-13-14-26-50(49)59-54(43-20-9-3-10-21-43)39-53(42-18-7-2-8-19-42)58(60(51)59)44-22-11-4-12-23-44/h1,3-7,9-27,30-39H,2,8,28-29H2
InChIKeyWUPOCRLGWWNKFF-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.60
Rot. Bonds7

About 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine

6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine (PubChem CID 89083812) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
PubChem CID89083812
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC Name6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
SMILESC1=CC(c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7c(cccc57)CC6)ccc4c3c2-c2ccccc2)=CCC1
InChIInChI=1S/C60H43N/c1-5-16-40(17-6-1)41-30-33-47(34-31-41)61(56-37-32-46-29-28-45-24-15-27-52(56)57(45)46)48-35-36-51-55(38-48)49-25-13-14-26-50(49)59-54(43-20-9-3-10-21-43)39-53(42-18-7-2-8-19-42)58(60(51)59)44-22-11-4-12-23-44/h1,3-7,9-27,30-39H,2,8,28-29H2
InChIKeyWUPOCRLGWWNKFF-UHFFFAOYSA-N
XLogP16.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 516.60
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-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
N-(1,2-dihydroacenaphthylen-5-yl)-N-(3-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308597
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
CID 89083927
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
N-(1,2-dihydroacenaphthylen-5-yl)-N-(4-methoxyphenyl)-5,6,8-triphenyltriphenylen-2-amine;N-(4-methoxyphenyl)-5,6,8-triphenyl-N-(4-trimethylsilylphenyl)triphenylen-2-amine;4-(4-methoxy-N-(5,6,8-triphenyltriphenylen-2-yl)anilino)benzonitrile
CID 161409372
N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine
CID 89083683
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 89083534
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine (CID 89083812) is 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine is C1=CC(c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7c(cccc57)CC6)ccc4c3c2-c2ccccc2)=CCC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is WUPOCRLGWWNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-5-16-40(17-6-1)41-30-33-47(34-31-41)61(56-37-32-46-29-28-45-24-15-27-52(56)57(45)46)48-35-36-51-55(38-48)49-25-13-14-26-50(49)59-54(43-20-9-3-10-21-43)39-53(42-18-7-2-8-19-42)58(60(51)59)44-22-11-4-12-23-44/h1,3-7,9-27,30-39H,2,8,28-29H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine?
6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 778.01 g/mol, XLogP of 16.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 89083812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).