1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole

C52H52N2 — CID 140914152

IUPAC1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
SMILESCc1ccccc1-c1c2ccc(N3c4ccccc4C(C)(C)C3(C)C)cc2c(-c2ccccc2C)c2ccc(N3c4ccccc4C(C)(C)C3(C)C)cc12
InChIInChI=1S/C52H52N2/c1-33-19-11-13-21-37(33)47-39-29-27-36(54-46-26-18-16-24-44(46)50(5,6)52(54,9)10)32-42(39)48(38-22-14-12-20-34(38)2)40-30-28-35(31-41(40)47)53-45-25-17-15-23-43(45)49(3,4)51(53,7)8/h11-32H,1-10H3
InChIKeyWWDHPIULJKBTQK-UHFFFAOYSA-N
MW705.00 g/mol
LogP14.36
Rot. Bonds4

About 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole

1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole (PubChem CID 140914152) has the molecular formula C52H52N2 and a molecular weight of 705.00 g/mol. Its IUPAC name is 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole.

Molecular Properties

Compound Name1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
PubChem CID140914152
Molecular FormulaC52H52N2
Molecular Weight705.00 g/mol
Exact Mass704.41
IUPAC Name1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole
SMILESCc1ccccc1-c1c2ccc(N3c4ccccc4C(C)(C)C3(C)C)cc2c(-c2ccccc2C)c2ccc(N3c4ccccc4C(C)(C)C3(C)C)cc12
InChIInChI=1S/C52H52N2/c1-33-19-11-13-21-37(33)47-39-29-27-36(54-46-26-18-16-24-44(46)50(5,6)52(54,9)10)32-42(39)48(38-22-14-12-20-34(38)2)40-30-28-35(31-41(40)47)53-45-25-17-15-23-43(45)49(3,4)51(53,7)8/h11-32H,1-10H3
InChIKeyWWDHPIULJKBTQK-UHFFFAOYSA-N
XLogP14.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.00
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?
The IUPAC name of 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole (CID 140914152) is 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole.
What is the SMILES notation for 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?
The canonical SMILES for 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole is Cc1ccccc1-c1c2ccc(N3c4ccccc4C(C)(C)C3(C)C)cc2c(-c2ccccc2C)c2ccc(N3c4ccccc4C(C)(C)C3(C)C)cc12.
What is the InChIKey of 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?
The InChIKey is WWDHPIULJKBTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H52N2/c1-33-19-11-13-21-37(33)47-39-29-27-36(54-46-26-18-16-24-44(46)50(5,6)52(54,9)10)32-42(39)48(38-22-14-12-20-34(38)2)40-30-28-35(31-41(40)47)53-45-25-17-15-23-43(45)49(3,4)51(53,7)8/h11-32H,1-10H3.
What are the key properties of 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole?
1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole has a molecular weight of 705.00 g/mol, XLogP of 14.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-bis(2-methylphenyl)-6-(2,2,3,3-tetramethylindol-1-yl)anthracen-2-yl]-2,2,3,3-tetramethylindole is sourced from PubChem (CID 140914152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).