6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine

C70H55N — CID 89083927

IUPAC6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
SMILESC1=CC(c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc4c3c2-c2ccccc2)=CCC1
InChIInChI=1S/C70H55N/c1-4-20-46(21-5-1)59-45-60(47-22-6-2-7-23-47)67-57-29-11-10-26-52(57)61-42-49(34-37-58(61)68(67)66(59)48-24-8-3-9-25-48)71(50-32-35-55-53-27-12-14-30-62(53)69(64(55)43-50)38-16-17-39-69)51-33-36-56-54-28-13-15-31-63(54)70(65(56)44-51)40-18-19-41-70/h2-4,6-15,20-37,42-45H,1,5,16-19,38-41H2
InChIKeyVRAVJMWCIGFMGG-UHFFFAOYSA-N
MW910.22 g/mol
LogP19.36
Rot. Bonds6

About 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine

6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine (PubChem CID 89083927) has the molecular formula C70H55N and a molecular weight of 910.22 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
PubChem CID89083927
Molecular FormulaC70H55N
Molecular Weight910.22 g/mol
Exact Mass909.43
IUPAC Name6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
SMILESC1=CC(c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc4c3c2-c2ccccc2)=CCC1
InChIInChI=1S/C70H55N/c1-4-20-46(21-5-1)59-45-60(47-22-6-2-7-23-47)67-57-29-11-10-26-52(57)61-42-49(34-37-58(61)68(67)66(59)48-24-8-3-9-25-48)71(50-32-35-55-53-27-12-14-30-62(53)69(64(55)43-50)38-16-17-39-69)51-33-36-56-54-28-13-15-31-63(54)70(65(56)44-51)40-18-19-41-70/h2-4,6-15,20-37,42-45H,1,5,16-19,38-41H2
InChIKeyVRAVJMWCIGFMGG-UHFFFAOYSA-N
XLogP19.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.22
LogP ≤ 519.36
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-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 89083812
N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine
CID 162244011
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
3'-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729094
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807438
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine?
The IUPAC name of 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) is 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine is C1=CC(c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc4c3c2-c2ccccc2)=CCC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine?
The InChIKey is VRAVJMWCIGFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H55N/c1-4-20-46(21-5-1)59-45-60(47-22-6-2-7-23-47)67-57-29-11-10-26-52(57)61-42-49(34-37-58(61)68(67)66(59)48-24-8-3-9-25-48)71(50-32-35-55-53-27-12-14-30-62(53)69(64(55)43-50)38-16-17-39-69)51-33-36-56-54-28-13-15-31-63(54)70(65(56)44-51)40-18-19-41-70/h2-4,6-15,20-37,42-45H,1,5,16-19,38-41H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine?
6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine has a molecular weight of 910.22 g/mol, XLogP of 19.36, 6 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-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine is sourced from PubChem (CID 89083927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).