9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol

C34H22O8 — CID 163801714

IUPAC9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3ccc4ccc5ccccc5c4c3)c3c(O)c(O)c(O)c(O)c3c(-c3ccccc3)c2c1O
InChIInChI=1S/C34H22O8/c35-27-23-21(17-7-2-1-3-8-17)24-26(30(38)34(42)32(40)28(24)36)22(25(23)29(37)33(41)31(27)39)18-13-12-16-11-10-15-6-4-5-9-19(15)20(16)14-18/h1-14,35-42H
InChIKeyNFOAFUOQNGSLJH-UHFFFAOYSA-N
MW558.54 g/mol
LogP7.28
Rot. Bonds2

About 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol

9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163801714) has the molecular formula C34H22O8 and a molecular weight of 558.54 g/mol. Its IUPAC name is 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
PubChem CID163801714
Molecular FormulaC34H22O8
Molecular Weight558.54 g/mol
Exact Mass558.13
IUPAC Name9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3ccc4ccc5ccccc5c4c3)c3c(O)c(O)c(O)c(O)c3c(-c3ccccc3)c2c1O
InChIInChI=1S/C34H22O8/c35-27-23-21(17-7-2-1-3-8-17)24-26(30(38)34(42)32(40)28(24)36)22(25(23)29(37)33(41)31(27)39)18-13-12-16-11-10-15-6-4-5-9-19(15)20(16)14-18/h1-14,35-42H
InChIKeyNFOAFUOQNGSLJH-UHFFFAOYSA-N
XLogP7.28
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500558.54
LogP ≤ 57.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(3-benzo[c]phenanthren-5-ylphenyl)-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 170600421
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
9-naphtho[2,1-b][1]benzofuran-10-yl-10-(4-phenanthren-2-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163441692
9-(5H-benzo[b]carbazol-3-yl)-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 163989460
9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163934105
7,9-dinaphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,8-heptol
CID 163766760
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
8-[4-[3-naphthalen-1-yl-5-[3-(2,3,4,5,6,7,8,9,10-nonahydroxypyren-1-yl)phenyl]phenyl]phenyl]pyrene-1,2,3,4,5,6,7,9,10-nonol
CID 163708749
3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 159532713
2-hydroxy-3-phenanthren-3-ylbenzoic acid
CID 174782186
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
ethane;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 143847474

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol (CID 163801714) is 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3ccc4ccc5ccccc5c4c3)c3c(O)c(O)c(O)c(O)c3c(-c3ccccc3)c2c1O.
What is the InChIKey of 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is NFOAFUOQNGSLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O8/c35-27-23-21(17-7-2-1-3-8-17)24-26(30(38)34(42)32(40)28(24)36)22(25(23)29(37)33(41)31(27)39)18-13-12-16-11-10-15-6-4-5-9-19(15)20(16)14-18/h1-14,35-42H.
What are the key properties of 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol?
9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 558.54 g/mol, XLogP of 7.28, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163801714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).