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

C39H42N2O2 — CID 89323588

IUPAC2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
SMILESCON1C(C)(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)N(O)C5(C)C)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C39H42N2O2/c1-36(2)30-20-18-24(22-32(30)37(3,4)40(36)42)34-26-14-10-12-16-28(26)35(29-17-13-11-15-27(29)34)25-19-21-31-33(23-25)39(7,8)41(43-9)38(31,5)6/h10-23,42H,1-9H3
InChIKeyCQXZPLJDNCXZFH-UHFFFAOYSA-N
MW570.78 g/mol
LogP9.85
Rot. Bonds3

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

2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole (PubChem CID 89323588) has the molecular formula C39H42N2O2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole.

Molecular Properties

Compound Name2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
PubChem CID89323588
Molecular FormulaC39H42N2O2
Molecular Weight570.78 g/mol
Exact Mass570.32
IUPAC Name2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
SMILESCON1C(C)(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)N(O)C5(C)C)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C39H42N2O2/c1-36(2)30-20-18-24(22-32(30)37(3,4)40(36)42)34-26-14-10-12-16-28(26)35(29-17-13-11-15-27(29)34)25-19-21-31-33(23-25)39(7,8)41(43-9)38(31,5)6/h10-23,42H,1-9H3
InChIKeyCQXZPLJDNCXZFH-UHFFFAOYSA-N
XLogP9.85
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 59.85
H-Bond Donors ≤ 51
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-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
CID 143568383
2-hydroxy-1,1,3,3-tetramethylbenzo[f]isoindole
CID 71159877
2-methoxy-1,1,3,3-tetramethyl-5-(2-naphthalen-1-ylethynyl)isoindole
CID 102478703
N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine
CID 142500207
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
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-(4-methoxynaphthalen-1-yl)-10-[7-[10-[10-(4-methoxynaphthalen-1-yl)anthracen-9-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821900
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
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
The IUPAC name of 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole (CID 89323588) is 2-hydroxy-5-[10-(2-methoxy-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-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
The canonical SMILES for 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole is CON1C(C)(C)c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)N(O)C5(C)C)c4ccccc34)cc2C1(C)C.
What is the InChIKey of 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
The InChIKey is CQXZPLJDNCXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2O2/c1-36(2)30-20-18-24(22-32(30)37(3,4)40(36)42)34-26-14-10-12-16-28(26)35(29-17-13-11-15-27(29)34)25-19-21-31-33(23-25)39(7,8)41(43-9)38(31,5)6/h10-23,42H,1-9H3.
What are the key properties of 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole?
2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole has a molecular weight of 570.78 g/mol, XLogP of 9.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole is sourced from PubChem (CID 89323588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).