9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine

C49H50N2 — CID 58371111

IUPAC9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c3cc(C)ccc23)cc1
InChIInChI=1S/C49H50N2/c1-33-14-23-38(24-15-33)50(40-27-19-36(20-28-40)48(4,5)6)46-42-12-10-11-13-43(42)47(45-32-35(3)18-31-44(45)46)51(39-25-16-34(2)17-26-39)41-29-21-37(22-30-41)49(7,8)9/h10-32H,1-9H3
InChIKeyKVDVWKUVZZPWPO-UHFFFAOYSA-N
MW666.95 g/mol
LogP14.45
Rot. Bonds6

About 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine

9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine (PubChem CID 58371111) has the molecular formula C49H50N2 and a molecular weight of 666.95 g/mol. Its IUPAC name is 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
PubChem CID58371111
Molecular FormulaC49H50N2
Molecular Weight666.95 g/mol
Exact Mass666.40
IUPAC Name9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c3cc(C)ccc23)cc1
InChIInChI=1S/C49H50N2/c1-33-14-23-38(24-15-33)50(40-27-19-36(20-28-40)48(4,5)6)46-42-12-10-11-13-43(42)47(45-32-35(3)18-31-44(45)46)51(39-25-16-34(2)17-26-39)41-29-21-37(22-30-41)49(7,8)9/h10-32H,1-9H3
InChIKeyKVDVWKUVZZPWPO-UHFFFAOYSA-N
XLogP14.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.95
LogP ≤ 514.45
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

10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 59372269
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)-2,6-bis(phenylsulfanyl)anthracene-9,10-diamine
CID 59372318
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061
2,3,6-trimethyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372305
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
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(2,4,6-trimethylphenyl)anthracene-9,10-diamine
CID 59372209
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
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
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine (CID 58371111) is 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)(C)C)cc3)c3cc(C)ccc23)cc1.
What is the InChIKey of 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine?
The InChIKey is KVDVWKUVZZPWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N2/c1-33-14-23-38(24-15-33)50(40-27-19-36(20-28-40)48(4,5)6)46-42-12-10-11-13-43(42)47(45-32-35(3)18-31-44(45)46)51(39-25-16-34(2)17-26-39)41-29-21-37(22-30-41)49(7,8)9/h10-32H,1-9H3.
What are the key properties of 9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine?
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine has a molecular weight of 666.95 g/mol, XLogP of 14.45, 6 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-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 58371111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).