9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine

C46H44N2 — CID 59133310

IUPAC9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H44N2/c1-31(2)35-19-27-39(28-20-35)47(37-23-15-33(5)16-24-37)45-41-11-7-9-13-43(41)46(44-14-10-8-12-42(44)45)48(38-25-17-34(6)18-26-38)40-29-21-36(22-30-40)32(3)4/h7-32H,1-6H3
InChIKeyXDGZJXIRKASDIR-UHFFFAOYSA-N
MW624.87 g/mol
LogP13.80
Rot. Bonds8

About 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine

9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine (PubChem CID 59133310) has the molecular formula C46H44N2 and a molecular weight of 624.87 g/mol. Its IUPAC name is 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
PubChem CID59133310
Molecular FormulaC46H44N2
Molecular Weight624.87 g/mol
Exact Mass624.35
IUPAC Name9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H44N2/c1-31(2)35-19-27-39(28-20-35)47(37-23-15-33(5)16-24-37)45-41-11-7-9-13-43(41)46(44-14-10-8-12-42(44)45)48(38-25-17-34(6)18-26-38)40-29-21-36(22-30-40)32(3)4/h7-32H,1-6H3
InChIKeyXDGZJXIRKASDIR-UHFFFAOYSA-N
XLogP13.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.87
LogP ≤ 513.80
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

2-tert-butyl-10-[3-tert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 59133298
9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine
CID 59133348
2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 89058632
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 159947296
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
CID 59133294
2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(4-methylphenyl)-6-propan-2-yl-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(2-phenylpropan-2-yl)anthracene-9,10-diamine
CID 157346432
4-N,9-N-bis(4-methylphenyl)-4-N,9-N-bis(4-propan-2-ylphenyl)pyrene-4,9-diamine
CID 59533086
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 135243477
9-N,10-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-2,6-dimethyl-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 122663792

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine (CID 59133310) is 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
The InChIKey is XDGZJXIRKASDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2/c1-31(2)35-19-27-39(28-20-35)47(37-23-15-33(5)16-24-37)45-41-11-7-9-13-43(41)46(44-14-10-8-12-42(44)45)48(38-25-17-34(6)18-26-38)40-29-21-36(22-30-40)32(3)4/h7-32H,1-6H3.
What are the key properties of 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine has a molecular weight of 624.87 g/mol, XLogP of 13.80, 8 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-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 59133310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).