4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline

C34H36N2 — CID 144640366

IUPAC4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
SMILESCC(C)(C)c1ccc2c(-c3ccc(N)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(N)cc3)c2c1
InChIInChI=1S/C34H36N2/c1-33(2,3)23-11-17-27-29(19-23)31(21-7-13-25(35)14-8-21)28-18-12-24(34(4,5)6)20-30(28)32(27)22-9-15-26(36)16-10-22/h7-20H,35-36H2,1-6H3
InChIKeyBECPBFQZCNUZSJ-UHFFFAOYSA-N
MW472.68 g/mol
LogP9.09
Rot. Bonds2

About 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline

4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline (PubChem CID 144640366) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline.

Molecular Properties

Compound Name4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
PubChem CID144640366
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC Name4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
SMILESCC(C)(C)c1ccc2c(-c3ccc(N)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(N)cc3)c2c1
InChIInChI=1S/C34H36N2/c1-33(2,3)23-11-17-27-29(19-23)31(21-7-13-25(35)14-8-21)28-18-12-24(34(4,5)6)20-30(28)32(27)22-9-15-26(36)16-10-22/h7-20H,35-36H2,1-6H3
InChIKeyBECPBFQZCNUZSJ-UHFFFAOYSA-N
XLogP9.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline?
The IUPAC name of 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline (CID 144640366) is 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline.
What is the SMILES notation for 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline?
The canonical SMILES for 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline is CC(C)(C)c1ccc2c(-c3ccc(N)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(N)cc3)c2c1.
What is the InChIKey of 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline?
The InChIKey is BECPBFQZCNUZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2/c1-33(2,3)23-11-17-27-29(19-23)31(21-7-13-25(35)14-8-21)28-18-12-24(34(4,5)6)20-30(28)32(27)22-9-15-26(36)16-10-22/h7-20H,35-36H2,1-6H3.
What are the key properties of 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline?
4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline has a molecular weight of 472.68 g/mol, XLogP of 9.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline is sourced from PubChem (CID 144640366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).