4-(10-anilinoanthracen-9-yl)phenol

C26H19NO — CID 145158011

IUPAC4-(10-anilinoanthracen-9-yl)phenol
SMILESOc1ccc(-c2c3ccccc3c(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H19NO/c28-20-16-14-18(15-17-20)25-21-10-4-6-12-23(21)26(24-13-7-5-11-22(24)25)27-19-8-2-1-3-9-19/h1-17,27-28H
InChIKeyIFWPGBDATIAGSV-UHFFFAOYSA-N
MW361.44 g/mol
LogP7.11
Rot. Bonds3

About 4-(10-anilinoanthracen-9-yl)phenol

4-(10-anilinoanthracen-9-yl)phenol (PubChem CID 145158011) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(10-anilinoanthracen-9-yl)phenol.

Molecular Properties

Compound Name4-(10-anilinoanthracen-9-yl)phenol
PubChem CID145158011
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name4-(10-anilinoanthracen-9-yl)phenol
SMILESOc1ccc(-c2c3ccccc3c(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H19NO/c28-20-16-14-18(15-17-20)25-21-10-4-6-12-23(21)26(24-13-7-5-11-22(24)25)27-19-8-2-1-3-9-19/h1-17,27-28H
InChIKeyIFWPGBDATIAGSV-UHFFFAOYSA-N
XLogP7.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-anilinonaphthalen-1-yl)phenol
CID 145157968
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
4-[(1-phenylnaphthalen-2-yl)amino]phenol
CID 67541341
CID 88964957
CID 88964957
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
CID 11047500
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
4-[10-bis(2,4,6-trimethylphenyl)boranylanthracen-9-yl]-N-phenylaniline
CID 101137265
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
2-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzene-1,2-diamine
CID 134171896
4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
CID 158101675
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819

Frequently Asked Questions

What is the IUPAC name of 4-(10-anilinoanthracen-9-yl)phenol?
The IUPAC name of 4-(10-anilinoanthracen-9-yl)phenol (CID 145158011) is 4-(10-anilinoanthracen-9-yl)phenol.
What is the SMILES notation for 4-(10-anilinoanthracen-9-yl)phenol?
The canonical SMILES for 4-(10-anilinoanthracen-9-yl)phenol is Oc1ccc(-c2c3ccccc3c(Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-(10-anilinoanthracen-9-yl)phenol?
The InChIKey is IFWPGBDATIAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO/c28-20-16-14-18(15-17-20)25-21-10-4-6-12-23(21)26(24-13-7-5-11-22(24)25)27-19-8-2-1-3-9-19/h1-17,27-28H.
What are the key properties of 4-(10-anilinoanthracen-9-yl)phenol?
4-(10-anilinoanthracen-9-yl)phenol has a molecular weight of 361.44 g/mol, XLogP of 7.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-anilinoanthracen-9-yl)phenol is sourced from PubChem (CID 145158011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).