10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine

C104H112N2 — CID 169278485

IUPAC10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c3ccccc3c(-c3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5ccc6ccccc6c5)ccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc(C(C)(C)C)c1
InChIInChI=1S/C104H112N2/c1-97(2,3)73-53-74(98(4,5)6)58-81(57-73)105(82-59-75(99(7,8)9)54-76(60-82)100(10,11)12)95-89-39-31-29-37-85(89)93(87-47-45-71(51-91(87)95)69-43-41-65-33-25-27-35-67(65)49-69)94-86-38-30-32-40-90(86)96(92-52-72(46-48-88(92)94)70-44-42-66-34-26-28-36-68(66)50-70)106(83-61-77(101(13,14)15)55-78(62-83)102(16,17)18)84-63-79(103(19,20)21)56-80(64-84)104(22,23)24/h25-64H,1-24H3
InChIKeyZKGNLIIQGCHMPM-UHFFFAOYSA-N
MW1390.05 g/mol
LogP30.93
Rot. Bonds9

About 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine

10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine (PubChem CID 169278485) has the molecular formula C104H112N2 and a molecular weight of 1390.05 g/mol. Its IUPAC name is 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine.

Molecular Properties

Compound Name10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine
PubChem CID169278485
Molecular FormulaC104H112N2
Molecular Weight1390.05 g/mol
Exact Mass1388.88
IUPAC Name10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c3ccccc3c(-c3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5ccc6ccccc6c5)ccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc(C(C)(C)C)c1
InChIInChI=1S/C104H112N2/c1-97(2,3)73-53-74(98(4,5)6)58-81(57-73)105(82-59-75(99(7,8)9)54-76(60-82)100(10,11)12)95-89-39-31-29-37-85(89)93(87-47-45-71(51-91(87)95)69-43-41-65-33-25-27-35-67(65)49-69)94-86-38-30-32-40-90(86)96(92-52-72(46-48-88(92)94)70-44-42-66-34-26-28-36-68(66)50-70)106(83-61-77(101(13,14)15)55-78(62-83)102(16,17)18)84-63-79(103(19,20)21)56-80(64-84)104(22,23)24/h25-64H,1-24H3
InChIKeyZKGNLIIQGCHMPM-UHFFFAOYSA-N
XLogP30.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.05
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine with MolForge

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Related Compounds

9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
10-[10-[3,5-bis(2-bicyclo[2.2.1]heptanyl)-N-(3,5-ditert-butylphenyl)anilino]-2,6-diphenylanthracen-9-yl]-N-[3,5-bis(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3,5-ditert-butylphenyl)-2,6-diphenylanthracen-9-amine
CID 169278484
9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
CID 157415217
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
CID 160600944
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
6-N,13-N-bis(4-tert-butylphenyl)-1,1,4,4,8,8,11,11-octamethyl-6-N,13-N-bis(4-propan-2-ylphenyl)pentacene-6,13-diamine;9,10-dinaphthalen-2-ylanthracene
CID 158257016
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111

Frequently Asked Questions

What is the IUPAC name of 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine?
The IUPAC name of 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine (CID 169278485) is 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine.
What is the SMILES notation for 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine?
The canonical SMILES for 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine is CC(C)(C)c1cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c3ccccc3c(-c3c4ccccc4c(N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5ccc6ccccc6c5)ccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc(C(C)(C)C)c1.
What is the InChIKey of 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine?
The InChIKey is ZKGNLIIQGCHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H112N2/c1-97(2,3)73-53-74(98(4,5)6)58-81(57-73)105(82-59-75(99(7,8)9)54-76(60-82)100(10,11)12)95-89-39-31-29-37-85(89)93(87-47-45-71(51-91(87)95)69-43-41-65-33-25-27-35-67(65)49-69)94-86-38-30-32-40-90(86)96(92-52-72(46-48-88(92)94)70-44-42-66-34-26-28-36-68(66)50-70)106(83-61-77(101(13,14)15)55-78(62-83)102(16,17)18)84-63-79(103(19,20)21)56-80(64-84)104(22,23)24/h25-64H,1-24H3.
What are the key properties of 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine?
10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine has a molecular weight of 1390.05 g/mol, XLogP of 30.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine is sourced from PubChem (CID 169278485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).