2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

C48H35N — CID 167235326

IUPAC2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
SMILESC1=Cc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2CC1
InChIInChI=1S/C48H35N/c1-2-16-45(17-3-1)49(46-27-24-37(25-28-46)41-21-18-34-10-4-7-13-38(34)30-41)48-33-43(42-22-19-35-11-5-8-14-39(35)31-42)26-29-47(48)44-23-20-36-12-6-9-15-40(36)32-44/h1-5,7-11,13-33H,6,12H2
InChIKeyMQELVHXSFMZDLA-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.42
Rot. Bonds6

About 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline

2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (PubChem CID 167235326) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
PubChem CID167235326
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
SMILESC1=Cc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2CC1
InChIInChI=1S/C48H35N/c1-2-16-45(17-3-1)49(46-27-24-37(25-28-46)41-21-18-34-10-4-7-13-38(34)30-41)48-33-43(42-22-19-35-11-5-8-14-39(35)31-42)26-29-47(48)44-23-20-36-12-6-9-15-40(36)32-44/h1-5,7-11,13-33H,6,12H2
InChIKeyMQELVHXSFMZDLA-UHFFFAOYSA-N
XLogP13.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
CID 134194347
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
N-(4-tert-butylphenyl)-6-[8-(5,6-dihydronaphthalen-2-yl)benzo[c]phenanthren-5-yl]-N-phenylnaphthalen-2-amine
CID 89086114
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
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
1,6-dibromo-3-(5,6-dihydronaphthalen-2-yl)-8-naphthalen-2-ylpyrene
CID 143938198
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
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
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 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The IUPAC name of 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline (CID 167235326) is 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The canonical SMILES for 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is C1=Cc2cc(-c3ccc(-c4ccc5ccccc5c4)cc3N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)ccc2CC1.
What is the InChIKey of 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
The InChIKey is MQELVHXSFMZDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-2-16-45(17-3-1)49(46-27-24-37(25-28-46)41-21-18-34-10-4-7-13-38(34)30-41)48-33-43(42-22-19-35-11-5-8-14-39(35)31-42)26-29-47(48)44-23-20-36-12-6-9-15-40(36)32-44/h1-5,7-11,13-33H,6,12H2.
What are the key properties of 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline?
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline has a molecular weight of 625.82 g/mol, XLogP of 13.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 167235326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).