N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine

C53H36N2O — CID 134392959

IUPACN-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine
SMILESCC1(C)c2ccccc2-c2c1cc1oc3ccccc3c1c2N(c1ccc2c3ccccc3c3ccccc3c2c1)c1ccc2ccn(-c3ccccc3)c2c1
InChIInChI=1S/C53H36N2O/c1-53(2)45-22-12-10-20-42(45)50-46(53)32-49-51(43-21-11-13-23-48(43)56-49)52(50)55(36-25-24-33-28-29-54(47(33)31-36)34-14-4-3-5-15-34)35-26-27-41-39-18-7-6-16-37(39)38-17-8-9-19-40(38)44(41)30-35/h3-32H,1-2H3
InChIKeyVJTVRMURDXEFNO-UHFFFAOYSA-N
MW716.88 g/mol
LogP14.77
Rot. Bonds4

About N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine

N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine (PubChem CID 134392959) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine.

Molecular Properties

Compound NameN-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine
PubChem CID134392959
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC NameN-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine
SMILESCC1(C)c2ccccc2-c2c1cc1oc3ccccc3c1c2N(c1ccc2c3ccccc3c3ccccc3c2c1)c1ccc2ccn(-c3ccccc3)c2c1
InChIInChI=1S/C53H36N2O/c1-53(2)45-22-12-10-20-42(45)50-46(53)32-49-51(43-21-11-13-23-48(43)56-49)52(50)55(36-25-24-33-28-29-54(47(33)31-36)34-14-4-3-5-15-34)35-26-27-41-39-18-7-6-16-37(39)38-17-8-9-19-40(38)44(41)30-35/h3-32H,1-2H3
InChIKeyVJTVRMURDXEFNO-UHFFFAOYSA-N
XLogP14.77
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine?
The IUPAC name of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine (CID 134392959) is N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine.
What is the SMILES notation for N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine?
The canonical SMILES for N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine is CC1(C)c2ccccc2-c2c1cc1oc3ccccc3c1c2N(c1ccc2c3ccccc3c3ccccc3c2c1)c1ccc2ccn(-c3ccccc3)c2c1.
What is the InChIKey of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine?
The InChIKey is VJTVRMURDXEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-53(2)45-22-12-10-20-42(45)50-46(53)32-49-51(43-21-11-13-23-48(43)56-49)52(50)55(36-25-24-33-28-29-54(47(33)31-36)34-14-4-3-5-15-34)35-26-27-41-39-18-7-6-16-37(39)38-17-8-9-19-40(38)44(41)30-35/h3-32H,1-2H3.
What are the key properties of N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine?
N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine has a molecular weight of 716.88 g/mol, XLogP of 14.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-12-yl)-1-phenyl-N-triphenylen-2-ylindol-6-amine is sourced from PubChem (CID 134392959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).