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

C68H68N2 — CID 59133298

IUPAC2-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
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C68H68N2/c1-43(2)47-25-35-53(36-26-47)69(51-31-21-45(5)22-32-51)65-59-19-15-13-17-55(59)63(57-39-29-49(41-61(57)65)67(7,8)9)64-56-18-14-16-20-60(56)66(62-42-50(68(10,11)12)30-40-58(62)64)70(52-33-23-46(6)24-34-52)54-37-27-48(28-38-54)44(3)4/h13-44H,1-12H3
InChIKeyDAZXTLXYMXMVBP-UHFFFAOYSA-N
MW913.31 g/mol
LogP20.36
Rot. Bonds9

About 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

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 (PubChem CID 59133298) has the molecular formula C68H68N2 and a molecular weight of 913.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID59133298
Molecular FormulaC68H68N2
Molecular Weight913.31 g/mol
Exact Mass912.54
IUPAC Name2-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
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C68H68N2/c1-43(2)47-25-35-53(36-26-47)69(51-31-21-45(5)22-32-51)65-59-19-15-13-17-55(59)63(57-39-29-49(41-61(57)65)67(7,8)9)64-56-18-14-16-20-60(56)66(62-42-50(68(10,11)12)30-40-58(62)64)70(52-33-23-46(6)24-34-52)54-37-27-48(28-38-54)44(3)4/h13-44H,1-12H3
InChIKeyDAZXTLXYMXMVBP-UHFFFAOYSA-N
XLogP20.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.31
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
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
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
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-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
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
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
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,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine
CID 59133348
3,9-ditert-butyl-6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-(N-(3,5-dimethylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-diphenylanthracen-9-amine;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;5,11-ditert-butyl-3-N,3-N,9-N,9-N-tetrakis(3-methylphenyl)perylene-3,9-diamine;2,8-ditert-butyl-5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 157495110
2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis[3,5-di(butan-2-yl)phenyl]anthracene-9,10-diamine
CID 147772175
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C(C)C)cc4)c4cc(C(C)(C)C)ccc34)c3ccc(C(C)(C)C)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is DAZXTLXYMXMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H68N2/c1-43(2)47-25-35-53(36-26-47)69(51-31-21-45(5)22-32-51)65-59-19-15-13-17-55(59)63(57-39-29-49(41-61(57)65)67(7,8)9)64-56-18-14-16-20-60(56)66(62-42-50(68(10,11)12)30-40-58(62)64)70(52-33-23-46(6)24-34-52)54-37-27-48(28-38-54)44(3)4/h13-44H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 913.31 g/mol, XLogP of 20.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59133298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).