9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol

C62H46N2O2 — CID 164545267

IUPAC9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol
SMILESOC1(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(O)(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C62H46N2O2/c65-61(49-19-7-1-8-20-49)57-41-35-48(46-33-39-56(40-34-46)64(53-27-15-5-16-28-53)54-29-17-6-18-30-54)44-60(57)62(66,50-21-9-2-10-22-50)58-42-36-47(43-59(58)61)45-31-37-55(38-32-45)63(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-44,65-66H
InChIKeyUZUBMXFAOXXGAP-UHFFFAOYSA-N
MW851.06 g/mol
LogP14.84
Rot. Bonds10

About 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol

9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol (PubChem CID 164545267) has the molecular formula C62H46N2O2 and a molecular weight of 851.06 g/mol. Its IUPAC name is 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol.

Molecular Properties

Compound Name9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol
PubChem CID164545267
Molecular FormulaC62H46N2O2
Molecular Weight851.06 g/mol
Exact Mass850.36
IUPAC Name9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol
SMILESOC1(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(O)(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C62H46N2O2/c65-61(49-19-7-1-8-20-49)57-41-35-48(46-33-39-56(40-34-46)64(53-27-15-5-16-28-53)54-29-17-6-18-30-54)44-60(57)62(66,50-21-9-2-10-22-50)58-42-36-47(43-59(58)61)45-31-37-55(38-32-45)63(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-44,65-66H
InChIKeyUZUBMXFAOXXGAP-UHFFFAOYSA-N
XLogP14.84
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.06
LogP ≤ 514.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol?
The IUPAC name of 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol (CID 164545267) is 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol.
What is the SMILES notation for 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol?
The canonical SMILES for 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol is OC1(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2C(O)(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol?
The InChIKey is UZUBMXFAOXXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2O2/c65-61(49-19-7-1-8-20-49)57-41-35-48(46-33-39-56(40-34-46)64(53-27-15-5-16-28-53)54-29-17-6-18-30-54)44-60(57)62(66,50-21-9-2-10-22-50)58-42-36-47(43-59(58)61)45-31-37-55(38-32-45)63(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-44,65-66H.
What are the key properties of 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol?
9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol has a molecular weight of 851.06 g/mol, XLogP of 14.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol is sourced from PubChem (CID 164545267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).