[3-(N-anthracen-9-ylanilino)phenyl]methanol

C27H21NO — CID 139983979

IUPAC[3-(N-anthracen-9-ylanilino)phenyl]methanol
SMILESOCc1cccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C27H21NO/c29-19-20-9-8-14-24(17-20)28(23-12-2-1-3-13-23)27-25-15-6-4-10-21(25)18-22-11-5-7-16-26(22)27/h1-18,29H,19H2
InChIKeyRMNXFOUHVLGCBL-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.96
Rot. Bonds4

About [3-(N-anthracen-9-ylanilino)phenyl]methanol

[3-(N-anthracen-9-ylanilino)phenyl]methanol (PubChem CID 139983979) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-(N-anthracen-9-ylanilino)phenyl]methanol.

Molecular Properties

Compound Name[3-(N-anthracen-9-ylanilino)phenyl]methanol
PubChem CID139983979
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name[3-(N-anthracen-9-ylanilino)phenyl]methanol
SMILESOCc1cccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C27H21NO/c29-19-20-9-8-14-24(17-20)28(23-12-2-1-3-13-23)27-25-15-6-4-10-21(25)18-22-11-5-7-16-26(22)27/h1-18,29H,19H2
InChIKeyRMNXFOUHVLGCBL-UHFFFAOYSA-N
XLogP6.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.96
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

N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 159472153
N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
[3-[4-[anthracen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]methanol
CID 139983905
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine
CID 22630557
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
2-N,7-N-di(anthracen-9-yl)-9-naphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine
CID 58795238
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 176588231
[3-(N-[7-(N-[3-(hydroxymethyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]anilino)phenyl]methanol
CID 20580158

Frequently Asked Questions

What is the IUPAC name of [3-(N-anthracen-9-ylanilino)phenyl]methanol?
The IUPAC name of [3-(N-anthracen-9-ylanilino)phenyl]methanol (CID 139983979) is [3-(N-anthracen-9-ylanilino)phenyl]methanol.
What is the SMILES notation for [3-(N-anthracen-9-ylanilino)phenyl]methanol?
The canonical SMILES for [3-(N-anthracen-9-ylanilino)phenyl]methanol is OCc1cccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of [3-(N-anthracen-9-ylanilino)phenyl]methanol?
The InChIKey is RMNXFOUHVLGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c29-19-20-9-8-14-24(17-20)28(23-12-2-1-3-13-23)27-25-15-6-4-10-21(25)18-22-11-5-7-16-26(22)27/h1-18,29H,19H2.
What are the key properties of [3-(N-anthracen-9-ylanilino)phenyl]methanol?
[3-(N-anthracen-9-ylanilino)phenyl]methanol has a molecular weight of 375.47 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-anthracen-9-ylanilino)phenyl]methanol is sourced from PubChem (CID 139983979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).