2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole

C38H40N2O2 — CID 143568383

IUPAC2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)N(O)C5(C)C)c4ccccc34)cc2C(C)(C)N1O
InChIInChI=1S/C38H40N2O2/c1-35(2)29-19-17-23(21-31(29)37(5,6)39(35)41)33-25-13-9-11-15-27(25)34(28-16-12-10-14-26(28)33)24-18-20-30-32(22-24)38(7,8)40(42)36(30,3)4/h9-22,41-42H,1-8H3
InChIKeyIBKKSOOMFVROPQ-UHFFFAOYSA-N
MW556.75 g/mol
LogP9.68
Rot. Bonds2

About 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole

2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole (PubChem CID 143568383) has the molecular formula C38H40N2O2 and a molecular weight of 556.75 g/mol. Its IUPAC name is 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole.

Molecular Properties

Compound Name2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
PubChem CID143568383
Molecular FormulaC38H40N2O2
Molecular Weight556.75 g/mol
Exact Mass556.31
IUPAC Name2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)N(O)C5(C)C)c4ccccc34)cc2C(C)(C)N1O
InChIInChI=1S/C38H40N2O2/c1-35(2)29-19-17-23(21-31(29)37(5,6)39(35)41)33-25-13-9-11-15-27(25)34(28-16-12-10-14-26(28)33)24-18-20-30-32(22-24)38(7,8)40(42)36(30,3)4/h9-22,41-42H,1-8H3
InChIKeyIBKKSOOMFVROPQ-UHFFFAOYSA-N
XLogP9.68
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 59.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
CID 89323588
2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole
CID 71159877
N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine
CID 142500207
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
CID 23590230
CID 23590230
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
The IUPAC name of 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole (CID 143568383) is 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole.
What is the SMILES notation for 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
The canonical SMILES for 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)N(O)C5(C)C)c4ccccc34)cc2C(C)(C)N1O.
What is the InChIKey of 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
The InChIKey is IBKKSOOMFVROPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O2/c1-35(2)29-19-17-23(21-31(29)37(5,6)39(35)41)33-25-13-9-11-15-27(25)34(28-16-12-10-14-26(28)33)24-18-20-30-32(22-24)38(7,8)40(42)36(30,3)4/h9-22,41-42H,1-8H3.
What are the key properties of 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole has a molecular weight of 556.75 g/mol, XLogP of 9.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole is sourced from PubChem (CID 143568383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).