9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine

C48H48N2 — CID 134483225

IUPAC9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESCCC(C)(C)c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(C(C)(C)CC)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H48N2/c1-7-47(3,4)35-27-31-39(32-28-35)49(37-19-11-9-12-20-37)45-41-23-15-17-25-43(41)46(44-26-18-16-24-42(44)45)50(38-21-13-10-14-22-38)40-33-29-36(30-34-40)48(5,6)8-2/h9-34H,7-8H2,1-6H3
InChIKeyXUMWTVJUKGLBNJ-UHFFFAOYSA-N
MW652.93 g/mol
LogP14.31
Rot. Bonds10

About 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine

9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine (PubChem CID 134483225) has the molecular formula C48H48N2 and a molecular weight of 652.93 g/mol. Its IUPAC name is 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
PubChem CID134483225
Molecular FormulaC48H48N2
Molecular Weight652.93 g/mol
Exact Mass652.38
IUPAC Name9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESCCC(C)(C)c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(C(C)(C)CC)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H48N2/c1-7-47(3,4)35-27-31-39(32-28-35)49(37-19-11-9-12-20-37)45-41-23-15-17-25-43(41)46(44-26-18-16-24-42(44)45)50(38-21-13-10-14-22-38)40-33-29-36(30-34-40)48(5,6)8-2/h9-34H,7-8H2,1-6H3
InChIKeyXUMWTVJUKGLBNJ-UHFFFAOYSA-N
XLogP14.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.93
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
10-bis[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]boranyl-N,N-bis(4-tert-butylphenyl)anthracen-9-amine
CID 102104586
9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine
CID 154791883
9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
CID 118074809
9-N-(4-butan-2-ylphenyl)-9-N,10-N,10-N-tris[4-(2-phenylpropan-2-yl)phenyl]anthracene-9,10-diamine
CID 88885785
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 118122960

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine (CID 134483225) is 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine is CCC(C)(C)c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(C(C)(C)CC)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
The InChIKey is XUMWTVJUKGLBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N2/c1-7-47(3,4)35-27-31-39(32-28-35)49(37-19-11-9-12-20-37)45-41-23-15-17-25-43(41)46(44-26-18-16-24-42(44)45)50(38-21-13-10-14-22-38)40-33-29-36(30-34-40)48(5,6)8-2/h9-34H,7-8H2,1-6H3.
What are the key properties of 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine?
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine has a molecular weight of 652.93 g/mol, XLogP of 14.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 134483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).