3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol

C52H36N2O2 — CID 59738961

IUPAC3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cccc(O)c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C52H36N2O2/c55-39-23-15-21-37(33-39)53(35-17-3-1-4-18-35)51-45-29-11-7-25-41(45)49(42-26-8-12-30-46(42)51)50-43-27-9-13-31-47(43)52(48-32-14-10-28-44(48)50)54(36-19-5-2-6-20-36)38-22-16-24-40(56)34-38/h1-34,55-56H
InChIKeyWUWMLKSPOBRYJI-UHFFFAOYSA-N
MW720.87 g/mol
LogP14.32
Rot. Bonds7

About 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol

3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol (PubChem CID 59738961) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol.

Molecular Properties

Compound Name3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol
PubChem CID59738961
Molecular FormulaC52H36N2O2
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC Name3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol
SMILESOc1cccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cccc(O)c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C52H36N2O2/c55-39-23-15-21-37(33-39)53(35-17-3-1-4-18-35)51-45-29-11-7-25-41(45)49(42-26-8-12-30-46(42)51)50-43-27-9-13-31-47(43)52(48-32-14-10-28-44(48)50)54(36-19-5-2-6-20-36)38-22-16-24-40(56)34-38/h1-34,55-56H
InChIKeyWUWMLKSPOBRYJI-UHFFFAOYSA-N
XLogP14.32
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 23568249
N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304286
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
N-(4-ethoxyphenyl)-10-[10-(N-(4-ethoxyphenyl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
CID 11984452
3-(N-[3-[3-(N-(3-hydroxyphenyl)anilino)phenyl]-4-phenylphenyl]anilino)phenol
CID 66649452
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
[3-(N-anthracen-9-ylanilino)phenyl]methanol
CID 139983979
N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
CID 155304186

Frequently Asked Questions

What is the IUPAC name of 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol?
The IUPAC name of 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol (CID 59738961) is 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol.
What is the SMILES notation for 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol?
The canonical SMILES for 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol is Oc1cccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cccc(O)c4)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol?
The InChIKey is WUWMLKSPOBRYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c55-39-23-15-21-37(33-39)53(35-17-3-1-4-18-35)51-45-29-11-7-25-41(45)49(42-26-8-12-30-46(42)51)50-43-27-9-13-31-47(43)52(48-32-14-10-28-44(48)50)54(36-19-5-2-6-20-36)38-22-16-24-40(56)34-38/h1-34,55-56H.
What are the key properties of 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol?
3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol has a molecular weight of 720.87 g/mol, XLogP of 14.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[10-[10-(N-(3-hydroxyphenyl)anilino)anthracen-9-yl]anthracen-9-yl]anilino)phenol is sourced from PubChem (CID 59738961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).