naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

C64H46N2 — CID 160961200

IUPACnaphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(Nc2ccc3c(-c4ccccc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C54H38N2.C10H8/c1-5-16-38(17-6-1)39-28-30-42(31-29-39)54-49-35-33-46(56(45-24-11-4-12-25-45)52-27-15-21-40-18-13-14-26-47(40)52)37-51(49)53(41-19-7-2-8-20-41)48-34-32-44(36-50(48)54)55-43-22-9-3-10-23-43;1-2-6-10-8-4-3-7-9(10)5-1/h1-37,55H;1-8H
InChIKeySXANRFWNFLWDCO-UHFFFAOYSA-N
MW843.09 g/mol
LogP18.20
Rot. Bonds8

About naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 160961200) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Namenaphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID160961200
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC Namenaphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(Nc2ccc3c(-c4ccccc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc2ccccc2c1
InChIInChI=1S/C54H38N2.C10H8/c1-5-16-38(17-6-1)39-28-30-42(31-29-39)54-49-35-33-46(56(45-24-11-4-12-25-45)52-27-15-21-40-18-13-14-26-47(40)52)37-51(49)53(41-19-7-2-8-20-41)48-34-32-44(36-50(48)54)55-43-22-9-3-10-23-43;1-2-6-10-8-4-3-7-9(10)5-1/h1-37,55H;1-8H
InChIKeySXANRFWNFLWDCO-UHFFFAOYSA-N
XLogP18.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 518.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine
CID 59766176
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 158578514
8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 131979973
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
CID 58758001
9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
CID 157087536
9,10-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
CID 90194158
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
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

Frequently Asked Questions

What is the IUPAC name of naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (CID 160961200) is naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(Nc2ccc3c(-c4ccccc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is SXANRFWNFLWDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2.C10H8/c1-5-16-38(17-6-1)39-28-30-42(31-29-39)54-49-35-33-46(56(45-24-11-4-12-25-45)52-27-15-21-40-18-13-14-26-47(40)52)37-51(49)53(41-19-7-2-8-20-41)48-34-32-44(36-50(48)54)55-43-22-9-3-10-23-43;1-2-6-10-8-4-3-7-9(10)5-1/h1-37,55H;1-8H.
What are the key properties of naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 843.09 g/mol, XLogP of 18.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 160961200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).