N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline

C50H39N — CID 134194347

IUPACN-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
SMILESC1=Cc2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)CCC=C6)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)ccc2CC1
InChIInChI=1S/C50H39N/c1-3-13-40(14-4-1)49-32-31-48(35-50(49)41-15-5-2-6-16-41)51(46-27-23-38(24-28-46)44-21-19-36-11-7-9-17-42(36)33-44)47-29-25-39(26-30-47)45-22-20-37-12-8-10-18-43(37)34-45/h1-7,10-11,13-16,18-35H,8-9,12,17H2
InChIKeyIMQZQHGVZJQTMM-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds7

About N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline

N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline (PubChem CID 134194347) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
PubChem CID134194347
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC NameN-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
SMILESC1=Cc2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)CCC=C6)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)ccc2CC1
InChIInChI=1S/C50H39N/c1-3-13-40(14-4-1)49-32-31-48(35-50(49)41-15-5-2-6-16-41)51(46-27-23-38(24-28-46)44-21-19-36-11-7-9-17-42(36)33-44)47-29-25-39(26-30-47)45-22-20-37-12-8-10-18-43(37)34-45/h1-7,10-11,13-16,18-35H,8-9,12,17H2
InChIKeyIMQZQHGVZJQTMM-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-methyl-N-(4-phenylphenyl)-7,8-dihydronaphthalen-2-amine
CID 70877215
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-[4-(8,9-dihydro-7H-benzo[7]annulen-2-yl)phenyl]-5-methyl-6-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenyl-9,10-dihydrophenanthren-3-amine
CID 174293532
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline?
The IUPAC name of N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline (CID 134194347) is N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline.
What is the SMILES notation for N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline?
The canonical SMILES for N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline is C1=Cc2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)CCC=C6)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)ccc2CC1.
What is the InChIKey of N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline?
The InChIKey is IMQZQHGVZJQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-3-13-40(14-4-1)49-32-31-48(35-50(49)41-15-5-2-6-16-41)51(46-27-23-38(24-28-46)44-21-19-36-11-7-9-17-42(36)33-44)47-29-25-39(26-30-47)45-22-20-37-12-8-10-18-43(37)34-45/h1-7,10-11,13-16,18-35H,8-9,12,17H2.
What are the key properties of N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline?
N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline has a molecular weight of 653.87 g/mol, XLogP of 13.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline is sourced from PubChem (CID 134194347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).