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

C156H162N8 — CID 157346432

IUPAC2-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
SMILESCC(C)c1ccc(N(c2ccc(N(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(N(C)C)cc3)c3cc(C(C)(C)C)ccc23)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C(C)(C)c4ccccc4)ccc23)cc1
InChIInChI=1S/C53H58N2.C52H58N4.C51H46N2/c1-34(2)39-16-26-45(27-17-39)54(43-22-12-37(7)13-23-43)51-48-31-21-42(53(9,10)11)33-50(48)52(47-30-20-41(36(5)6)32-49(47)51)55(44-24-14-38(8)15-25-44)46-28-18-40(19-29-46)35(3)4;1-35(2)37-16-21-42(22-17-37)55(44-29-25-40(26-30-44)53(8)9)50-46-14-12-13-15-47(46)51(49-34-39(52(5,6)7)20-33-48(49)50)56(43-23-18-38(19-24-43)36(3)4)45-31-27-41(28-32-45)54(10)11;1-35-16-25-41(26-17-35)52(42-27-18-36(2)19-28-42)49-45-14-10-11-15-46(45)50(53(43-29-20-37(3)21-30-43)44-31-22-38(4)23-32-44)48-34-40(24-33-47(48)49)51(5,6)39-12-8-7-9-13-39/h12-36H,1-11H3;12-36H,1-11H3;7-34H,1-6H3
InChIKeyBHAIGCALAQOBFY-UHFFFAOYSA-N
MW2149.07 g/mol
LogP45.32
Rot. Bonds27

About 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

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 (PubChem CID 157346432) has the molecular formula C156H162N8 and a molecular weight of 2149.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157346432
Molecular FormulaC156H162N8
Molecular Weight2149.07 g/mol
Exact Mass2147.29
IUPAC Name2-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
SMILESCC(C)c1ccc(N(c2ccc(N(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(N(C)C)cc3)c3cc(C(C)(C)C)ccc23)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C(C)(C)c4ccccc4)ccc23)cc1
InChIInChI=1S/C53H58N2.C52H58N4.C51H46N2/c1-34(2)39-16-26-45(27-17-39)54(43-22-12-37(7)13-23-43)51-48-31-21-42(53(9,10)11)33-50(48)52(47-30-20-41(36(5)6)32-49(47)51)55(44-24-14-38(8)15-25-44)46-28-18-40(19-29-46)35(3)4;1-35(2)37-16-21-42(22-17-37)55(44-29-25-40(26-30-44)53(8)9)50-46-14-12-13-15-47(46)51(49-34-39(52(5,6)7)20-33-48(49)50)56(43-23-18-38(19-24-43)36(3)4)45-31-27-41(28-32-45)54(10)11;1-35-16-25-41(26-17-35)52(42-27-18-36(2)19-28-42)49-45-14-10-11-15-46(45)50(53(43-29-20-37(3)21-30-43)44-31-22-38(4)23-32-44)48-34-40(24-33-47(48)49)51(5,6)39-12-8-7-9-13-39/h12-36H,1-11H3;12-36H,1-11H3;7-34H,1-6H3
InChIKeyBHAIGCALAQOBFY-UHFFFAOYSA-N
XLogP45.32
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002149.07
LogP ≤ 545.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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
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
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine
CID 59133348
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
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
10-[4-(N-(4-butan-2-ylphenyl)anilino)phenyl]-2,6-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 89058649
9-(10-carbazol-9-yl-2,6-diphenylanthracen-9-yl)carbazole;9-(2,6-ditert-butyl-10-carbazol-9-ylanthracen-9-yl)carbazole;9-[2,6-ditert-butyl-10-[3,6-di(propan-2-yl)carbazol-9-yl]anthracen-9-yl]-3,6-di(propan-2-yl)carbazole;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
CID 158119370
9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-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 158449345
2-(1-adamantyl)-9-N,10-N-bis[4-(2-phenylpropan-2-yl)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-butan-2-yl-9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(3-carbazol-9-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;3,7-ditert-butyl-1-N,10-N-bis(4-methylphenyl)-1-N,10-N-bis(4-propan-2-ylphenyl)anthracene-1,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-pentan-3-ylanthracene-9,10-diamine
CID 160724839
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(N(c2ccc(N(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)C)cc3)c3ccc(N(C)C)cc3)c3cc(C(C)(C)C)ccc23)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C(C)(C)c4ccccc4)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is BHAIGCALAQOBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H58N2.C52H58N4.C51H46N2/c1-34(2)39-16-26-45(27-17-39)54(43-22-12-37(7)13-23-43)51-48-31-21-42(53(9,10)11)33-50(48)52(47-30-20-41(36(5)6)32-49(47)51)55(44-24-14-38(8)15-25-44)46-28-18-40(19-29-46)35(3)4;1-35(2)37-16-21-42(22-17-37)55(44-29-25-40(26-30-44)53(8)9)50-46-14-12-13-15-47(46)51(49-34-39(52(5,6)7)20-33-48(49)50)56(43-23-18-38(19-24-43)36(3)4)45-31-27-41(28-32-45)54(10)11;1-35-16-25-41(26-17-35)52(42-27-18-36(2)19-28-42)49-45-14-10-11-15-46(45)50(53(43-29-20-37(3)21-30-43)44-31-22-38(4)23-32-44)48-34-40(24-33-47(48)49)51(5,6)39-12-8-7-9-13-39/h12-36H,1-11H3;12-36H,1-11H3;7-34H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 2149.07 g/mol, XLogP of 45.32, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157346432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).