4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol

C38H26O4 — CID 54527880

IUPAC4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c3cc4ccccc4cc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C38H26O4/c39-29-13-5-23(6-14-29)35-33-21-27-3-1-2-4-28(27)22-34(33)36(24-7-15-30(40)16-8-24)38(26-11-19-32(42)20-12-26)37(35)25-9-17-31(41)18-10-25/h1-22,39-42H
InChIKeyYUJUNZZUQMRFRN-UHFFFAOYSA-N
MW546.62 g/mol
LogP9.48
Rot. Bonds4

About 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol

4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol (PubChem CID 54527880) has the molecular formula C38H26O4 and a molecular weight of 546.62 g/mol. Its IUPAC name is 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol.

Molecular Properties

Compound Name4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
PubChem CID54527880
Molecular FormulaC38H26O4
Molecular Weight546.62 g/mol
Exact Mass546.18
IUPAC Name4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c3cc4ccccc4cc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C38H26O4/c39-29-13-5-23(6-14-29)35-33-21-27-3-1-2-4-28(27)22-34(33)36(24-7-15-30(40)16-8-24)38(26-11-19-32(42)20-12-26)37(35)25-9-17-31(41)18-10-25/h1-22,39-42H
InChIKeyYUJUNZZUQMRFRN-UHFFFAOYSA-N
XLogP9.48
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 59.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[13-(3,5-dihydroxyphenyl)pentacen-6-yl]benzene-1,3-diol
CID 102071732
1,2,3,4-tetrakis(4-propan-2-ylphenyl)anthracene
CID 174880220
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
3-(4-hydroxyphenyl)naphthalen-2-ol
CID 173247043
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
4,6-bis(4-hydroxyphenyl)-2,5-diphenylbenzene-1,3-diol
CID 158101675
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
naphthalen-2-ol
CID 71750931
anthracene;benzene;naphthalene;phenol
CID 174822165
3,14-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123826742
7,11,12,13,14,18,29,33,34,35,36,40,51,55,56,57,58,62-octadecakis-phenylnonadecacyclo[44.20.4.42,23.424,45.06,19.08,17.010,15.028,41.030,39.032,37.049,69.050,63.052,61.054,59.064,68.05,77.020,76.027,73.042,72]octaheptaconta-1(67),2(78),3,5(77),6,8,10(15),11,13,16,18,20(76),21,23(75),24(74),25,27(73),28,30,32(37),33,35,38,40,42(72),43,45(71),46(70),47,49(69),50,52,54(59),55,57,60,62,64(68),65-nonatriacontaene
CID 175687169

Frequently Asked Questions

What is the IUPAC name of 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol?
The IUPAC name of 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol (CID 54527880) is 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol.
What is the SMILES notation for 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol?
The canonical SMILES for 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol is Oc1ccc(-c2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c3cc4ccccc4cc3c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol?
The InChIKey is YUJUNZZUQMRFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O4/c39-29-13-5-23(6-14-29)35-33-21-27-3-1-2-4-28(27)22-34(33)36(24-7-15-30(40)16-8-24)38(26-11-19-32(42)20-12-26)37(35)25-9-17-31(41)18-10-25/h1-22,39-42H.
What are the key properties of 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol?
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol has a molecular weight of 546.62 g/mol, XLogP of 9.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol is sourced from PubChem (CID 54527880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).