4-(9,10-diphenylanthracen-1-yl)phenol

C32H22O — CID 150494593

IUPAC4-(9,10-diphenylanthracen-1-yl)phenol
SMILESOc1ccc(-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C32H22O/c33-25-20-18-22(19-21-25)26-16-9-17-29-30(23-10-3-1-4-11-23)27-14-7-8-15-28(27)31(32(26)29)24-12-5-2-6-13-24/h1-21,33H
InChIKeyHWNFNOYJCCENSC-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.70
Rot. Bonds3

About 4-(9,10-diphenylanthracen-1-yl)phenol

4-(9,10-diphenylanthracen-1-yl)phenol (PubChem CID 150494593) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(9,10-diphenylanthracen-1-yl)phenol.

Molecular Properties

Compound Name4-(9,10-diphenylanthracen-1-yl)phenol
PubChem CID150494593
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name4-(9,10-diphenylanthracen-1-yl)phenol
SMILESOc1ccc(-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C32H22O/c33-25-20-18-22(19-21-25)26-16-9-17-29-30(23-10-3-1-4-11-23)27-14-7-8-15-28(27)31(32(26)29)24-12-5-2-6-13-24/h1-21,33H
InChIKeyHWNFNOYJCCENSC-UHFFFAOYSA-N
XLogP8.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-naphthalen-2-yl-1-phenyl-10-(4-phenylphenyl)anthracene
CID 58323204
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-(2-phenylphenyl)-20-(4-phenylphenyl)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-tetradecaene
CID 59642746
2-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58233285
4-[9-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthrolin-2-yl]phenol
CID 136629852
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
CID 144663155
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
10-naphthalen-1-yl-1,9-bis(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-1-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 159756226
7,9,14,25,27-pentakis-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22(38),23,25,27,29,31,33,35-icosaene
CID 59080775

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenylanthracen-1-yl)phenol?
The IUPAC name of 4-(9,10-diphenylanthracen-1-yl)phenol (CID 150494593) is 4-(9,10-diphenylanthracen-1-yl)phenol.
What is the SMILES notation for 4-(9,10-diphenylanthracen-1-yl)phenol?
The canonical SMILES for 4-(9,10-diphenylanthracen-1-yl)phenol is Oc1ccc(-c2cccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-(9,10-diphenylanthracen-1-yl)phenol?
The InChIKey is HWNFNOYJCCENSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c33-25-20-18-22(19-21-25)26-16-9-17-29-30(23-10-3-1-4-11-23)27-14-7-8-15-28(27)31(32(26)29)24-12-5-2-6-13-24/h1-21,33H.
What are the key properties of 4-(9,10-diphenylanthracen-1-yl)phenol?
4-(9,10-diphenylanthracen-1-yl)phenol has a molecular weight of 422.53 g/mol, XLogP of 8.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-diphenylanthracen-1-yl)phenol is sourced from PubChem (CID 150494593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).