N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine

C54H38N2 — CID 20607956

IUPACN,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c(-c4cccc5c(-c6cccc7c(N(c8ccccc8)c8ccccc8)cccc67)cccc45)cccc23)cc1
InChIInChI=1S/C54H38N2/c1-5-19-39(20-6-1)55(40-21-7-2-8-22-40)53-37-17-33-49-47(31-15-35-51(49)53)45-29-13-28-44-43(45)27-14-30-46(44)48-32-16-36-52-50(48)34-18-38-54(52)56(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-38H
InChIKeySMUHSLNRDWAGNL-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.42
Rot. Bonds8

About N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine

N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine (PubChem CID 20607956) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
PubChem CID20607956
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c(-c4cccc5c(-c6cccc7c(N(c8ccccc8)c8ccccc8)cccc67)cccc45)cccc23)cc1
InChIInChI=1S/C54H38N2/c1-5-19-39(20-6-1)55(40-21-7-2-8-22-40)53-37-17-33-49-47(31-15-35-51(49)53)45-29-13-28-44-43(45)27-14-30-46(44)48-32-16-36-52-50(48)34-18-38-54(52)56(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-38H
InChIKeySMUHSLNRDWAGNL-UHFFFAOYSA-N
XLogP15.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine
CID 146540173
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 158475864
N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine
CID 59282181

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine (CID 20607956) is N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine is c1ccc(N(c2ccccc2)c2cccc3c(-c4cccc5c(-c6cccc7c(N(c8ccccc8)c8ccccc8)cccc67)cccc45)cccc23)cc1.
What is the InChIKey of N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
The InChIKey is SMUHSLNRDWAGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-19-39(20-6-1)55(40-21-7-2-8-22-40)53-37-17-33-49-47(31-15-35-51(49)53)45-29-13-28-44-43(45)27-14-30-46(44)48-32-16-36-52-50(48)34-18-38-54(52)56(41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-38H.
What are the key properties of N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine?
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine has a molecular weight of 714.91 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 20607956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).