6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine

C70H54N2 — CID 89152667

IUPAC6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
SMILESC1=CCCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccc(C6=CCCC=C6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)=C1
InChIInChI=1S/C70H54N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1,3-7,9,11-27,29-35,37-48,51H,2,8,10,28,36H2
InChIKeyYCONEAGEMVRSIU-UHFFFAOYSA-N
MW923.22 g/mol
LogP19.50
Rot. Bonds10

About 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine

6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine (PubChem CID 89152667) has the molecular formula C70H54N2 and a molecular weight of 923.22 g/mol. Its IUPAC name is 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
PubChem CID89152667
Molecular FormulaC70H54N2
Molecular Weight923.22 g/mol
Exact Mass922.43
IUPAC Name6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
SMILESC1=CCCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccc(C6=CCCC=C6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)=C1
InChIInChI=1S/C70H54N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1,3-7,9,11-27,29-35,37-48,51H,2,8,10,28,36H2
InChIKeyYCONEAGEMVRSIU-UHFFFAOYSA-N
XLogP19.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.22
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89189708
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-6-N-naphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89061041
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
CID 143258012
6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
CID 89061049
2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline
CID 145290993
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
2-N-(7,8-dihydronaphthalen-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89152058
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163885983

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine?
The IUPAC name of 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine (CID 89152667) is 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine?
The canonical SMILES for 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine is C1=CCCC(N(C2=CCC(c3ccccc3)C=C2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccc(C6=CCCC=C6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)=C1.
What is the InChIKey of 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine?
The InChIKey is YCONEAGEMVRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1,3-7,9,11-27,29-35,37-48,51H,2,8,10,28,36H2.
What are the key properties of 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine?
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine has a molecular weight of 923.22 g/mol, XLogP of 19.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine is sourced from PubChem (CID 89152667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).