10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine

C58H44N2 — CID 89151926

IUPAC10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine
SMILESC1=CCC(N(c2ccccc2)c2c3ccc(-c4ccc5c(c4)C=CCC5)cc3c(N(c3ccccc3)c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc23)C=C1
InChIInChI=1S/C58H44N2/c1-5-21-49(22-6-1)59(50-23-7-2-8-24-50)57-53-35-33-48(46-32-30-42-18-14-16-20-44(42)38-46)40-56(53)58(60(51-25-9-3-10-26-51)52-27-11-4-12-28-52)54-36-34-47(39-55(54)57)45-31-29-41-17-13-15-19-43(41)37-45/h1-13,15-17,19-23,25-40,50H,14,18,24H2
InChIKeyGYKAHIHIEJXRSM-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.93
Rot. Bonds8

About 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine

10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine (PubChem CID 89151926) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine
PubChem CID89151926
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine
SMILESC1=CCC(N(c2ccccc2)c2c3ccc(-c4ccc5c(c4)C=CCC5)cc3c(N(c3ccccc3)c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc23)C=C1
InChIInChI=1S/C58H44N2/c1-5-21-49(22-6-1)59(50-23-7-2-8-24-50)57-53-35-33-48(46-32-30-42-18-14-16-20-44(42)38-46)40-56(53)58(60(51-25-9-3-10-26-51)52-27-11-4-12-28-52)54-36-34-47(39-55(54)57)45-31-29-41-17-13-15-19-43(41)37-45/h1-13,15-17,19-23,25-40,50H,14,18,24H2
InChIKeyGYKAHIHIEJXRSM-UHFFFAOYSA-N
XLogP15.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951
6-N-cyclohexa-2,4-dien-1-yl-9,10-di(phenanthren-2-yl)-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89049797
9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 91240988
9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
CID 70881589
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[10-[4-(N-phenylanilino)phenyl]-3,4-dihydroanthracen-9-yl]aniline
CID 71012747
2-N-(5,6-dihydronaphthalen-2-yl)-2-N,6-N,6-N-trinaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 89188215
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
1,6-dibromo-3-(5,6-dihydronaphthalen-2-yl)-8-naphthalen-2-ylpyrene
CID 143938198
N-(4-tert-butylphenyl)-6-[8-(5,6-dihydronaphthalen-2-yl)benzo[c]phenanthren-5-yl]-N-phenylnaphthalen-2-amine
CID 89086114
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999

Frequently Asked Questions

What is the IUPAC name of 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine?
The IUPAC name of 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine (CID 89151926) is 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine.
What is the SMILES notation for 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine?
The canonical SMILES for 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine is C1=CCC(N(c2ccccc2)c2c3ccc(-c4ccc5c(c4)C=CCC5)cc3c(N(c3ccccc3)c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc23)C=C1.
What is the InChIKey of 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine?
The InChIKey is GYKAHIHIEJXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-5-21-49(22-6-1)59(50-23-7-2-8-24-50)57-53-35-33-48(46-32-30-42-18-14-16-20-44(42)38-46)40-56(53)58(60(51-25-9-3-10-26-51)52-27-11-4-12-28-52)54-36-34-47(39-55(54)57)45-31-29-41-17-13-15-19-43(41)37-45/h1-13,15-17,19-23,25-40,50H,14,18,24H2.
What are the key properties of 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine?
10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine has a molecular weight of 769.00 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-cyclohexa-2,4-dien-1-yl-2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-9-N,9-N,10-N-triphenylanthracene-9,10-diamine is sourced from PubChem (CID 89151926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).