1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine

C54H42N2 — CID 143254534

IUPAC1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
SMILESC1=Cc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4c3C=CCC4)cc2CC1
InChIInChI=1S/C54H42N2/c1-3-13-39(14-4-1)43-23-29-47(30-24-43)55(49-33-27-41-17-7-9-19-45(41)37-49)53-35-36-54(52-22-12-11-21-51(52)53)56(50-34-28-42-18-8-10-20-46(42)38-50)48-31-25-44(26-32-48)40-15-5-2-6-16-40/h1-9,12-19,22-38H,10-11,20-21H2
InChIKeyGTRROJHGRUZENI-UHFFFAOYSA-N
MW718.94 g/mol
LogP15.03
Rot. Bonds8

About 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine

1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine (PubChem CID 143254534) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
PubChem CID143254534
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
SMILESC1=Cc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4c3C=CCC4)cc2CC1
InChIInChI=1S/C54H42N2/c1-3-13-39(14-4-1)43-23-29-47(30-24-43)55(49-33-27-41-17-7-9-19-45(41)37-49)53-35-36-54(52-22-12-11-21-51(52)53)56(50-34-28-42-18-8-10-20-46(42)38-50)48-31-25-44(26-32-48)40-15-5-2-6-16-40/h1-9,12-19,22-38H,10-11,20-21H2
InChIKeyGTRROJHGRUZENI-UHFFFAOYSA-N
XLogP15.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine with MolForge

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Related Compounds

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-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
CID 70881589
N-methyl-N-(4-phenylphenyl)-7,8-dihydronaphthalen-2-amine
CID 70877215
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
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
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
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-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
CID 134194347
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
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076

Frequently Asked Questions

What is the IUPAC name of 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine?
The IUPAC name of 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine (CID 143254534) is 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine.
What is the SMILES notation for 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine?
The canonical SMILES for 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine is C1=Cc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4c3C=CCC4)cc2CC1.
What is the InChIKey of 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine?
The InChIKey is GTRROJHGRUZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-3-13-39(14-4-1)43-23-29-47(30-24-43)55(49-33-27-41-17-7-9-19-45(41)37-49)53-35-36-54(52-22-12-11-21-51(52)53)56(50-34-28-42-18-8-10-20-46(42)38-50)48-31-25-44(26-32-48)40-15-5-2-6-16-40/h1-9,12-19,22-38H,10-11,20-21H2.
What are the key properties of 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine?
1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine has a molecular weight of 718.94 g/mol, XLogP of 15.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine is sourced from PubChem (CID 143254534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).