9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine

C191H261N3 — CID 165035472

IUPAC9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine
SMILESCCCCCCCCCCc1cc(CCCCCCCCCC)cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c3ccccc3c(N(c3cc(CCCCCCCCCC)cc(CCCCCCCCCC)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(-c4ccccc4)ccc23)c1.CCCCc1ccc2c(C(c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3ccccc3c(N(c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c2c1
InChIInChI=1S/C100H144N2.C91H117N/c1-17-21-25-29-33-37-41-46-54-77-64-78(55-47-42-38-34-30-26-22-18-2)67-87(66-77)101(89-73-83(97(5,6)7)71-84(74-89)98(8,9)10)95-91-60-52-53-61-92(91)96(94-70-82(62-63-93(94)95)81-58-50-45-51-59-81)102(90-75-85(99(11,12)13)72-86(76-90)100(14,15)16)88-68-79(56-48-43-39-35-31-27-23-19-3)65-80(69-88)57-49-44-40-36-32-28-24-20-4;1-2-3-30-64-49-50-86-88(51-64)91(92(83-60-77(69-39-20-8-21-40-69)54-78(61-83)70-41-22-9-23-42-70)84-62-79(71-43-24-10-25-44-71)55-80(63-84)72-45-26-11-27-46-72)87-48-29-28-47-85(87)90(86)89(81-56-73(65-31-12-4-13-32-65)52-74(57-81)66-33-14-5-15-34-66)82-58-75(67-35-16-6-17-36-67)53-76(59-82)68-37-18-7-19-38-68/h45,50-53,58-76H,17-44,46-49,54-57H2,1-16H3;28-29,47-63,65-72,89H,2-27,30-46H2,1H3
InChIKeyNHUKGIVWUMKPCZ-UHFFFAOYSA-N
MW2599.21 g/mol
LogP60.89
Rot. Bonds60

About 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine

9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine (PubChem CID 165035472) has the molecular formula C191H261N3 and a molecular weight of 2599.21 g/mol. Its IUPAC name is 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine.

Molecular Properties

Compound Name9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine
PubChem CID165035472
Molecular FormulaC191H261N3
Molecular Weight2599.21 g/mol
Exact Mass2597.05
IUPAC Name9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine
SMILESCCCCCCCCCCc1cc(CCCCCCCCCC)cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c3ccccc3c(N(c3cc(CCCCCCCCCC)cc(CCCCCCCCCC)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(-c4ccccc4)ccc23)c1.CCCCc1ccc2c(C(c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3ccccc3c(N(c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c2c1
InChIInChI=1S/C100H144N2.C91H117N/c1-17-21-25-29-33-37-41-46-54-77-64-78(55-47-42-38-34-30-26-22-18-2)67-87(66-77)101(89-73-83(97(5,6)7)71-84(74-89)98(8,9)10)95-91-60-52-53-61-92(91)96(94-70-82(62-63-93(94)95)81-58-50-45-51-59-81)102(90-75-85(99(11,12)13)72-86(76-90)100(14,15)16)88-68-79(56-48-43-39-35-31-27-23-19-3)65-80(69-88)57-49-44-40-36-32-28-24-20-4;1-2-3-30-64-49-50-86-88(51-64)91(92(83-60-77(69-39-20-8-21-40-69)54-78(61-83)70-41-22-9-23-42-70)84-62-79(71-43-24-10-25-44-71)55-80(63-84)72-45-26-11-27-46-72)87-48-29-28-47-85(87)90(86)89(81-56-73(65-31-12-4-13-32-65)52-74(57-81)66-33-14-5-15-34-66)82-58-75(67-35-16-6-17-36-67)53-76(59-82)68-37-18-7-19-38-68/h45,50-53,58-76H,17-44,46-49,54-57H2,1-16H3;28-29,47-63,65-72,89H,2-27,30-46H2,1H3
InChIKeyNHUKGIVWUMKPCZ-UHFFFAOYSA-N
XLogP60.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds60
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002599.21
LogP ≤ 560.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine with MolForge

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Related Compounds

9-N-(2,4-didecylphenyl)-9-N,10-N,10-N-tris(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine
CID 167108918
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159967041
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-cyclohexylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;9-N,10-N-bis(3,5-diphenylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine
CID 157181107
4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
CID 164800977
N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 155472223
9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 118901482
8-octyl-3-phenylbenzo[c]cinnoline
CID 132938337
N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155472225
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
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
N-[4-(4-cyclohexylphenyl)phenyl]-N-(3,5-ditert-butylphenyl)-9,9-dipropylfluoren-2-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dipropylfluoren-2-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dipropylfluoren-2-amine
CID 157280695

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine?
The IUPAC name of 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine (CID 165035472) is 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine.
What is the SMILES notation for 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine?
The canonical SMILES for 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine is CCCCCCCCCCc1cc(CCCCCCCCCC)cc(N(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c3ccccc3c(N(c3cc(CCCCCCCCCC)cc(CCCCCCCCCC)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(-c4ccccc4)ccc23)c1.CCCCc1ccc2c(C(c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3ccccc3c(N(c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c3cc(C4CCCCC4)cc(C4CCCCC4)c3)c2c1.
What is the InChIKey of 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine?
The InChIKey is NHUKGIVWUMKPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H144N2.C91H117N/c1-17-21-25-29-33-37-41-46-54-77-64-78(55-47-42-38-34-30-26-22-18-2)67-87(66-77)101(89-73-83(97(5,6)7)71-84(74-89)98(8,9)10)95-91-60-52-53-61-92(91)96(94-70-82(62-63-93(94)95)81-58-50-45-51-59-81)102(90-75-85(99(11,12)13)72-86(76-90)100(14,15)16)88-68-79(56-48-43-39-35-31-27-23-19-3)65-80(69-88)57-49-44-40-36-32-28-24-20-4;1-2-3-30-64-49-50-86-88(51-64)91(92(83-60-77(69-39-20-8-21-40-69)54-78(61-83)70-41-22-9-23-42-70)84-62-79(71-43-24-10-25-44-71)55-80(63-84)72-45-26-11-27-46-72)87-48-29-28-47-85(87)90(86)89(81-56-73(65-31-12-4-13-32-65)52-74(57-81)66-33-14-5-15-34-66)82-58-75(67-35-16-6-17-36-67)53-76(59-82)68-37-18-7-19-38-68/h45,50-53,58-76H,17-44,46-49,54-57H2,1-16H3;28-29,47-63,65-72,89H,2-27,30-46H2,1H3.
What are the key properties of 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine?
9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine has a molecular weight of 2599.21 g/mol, XLogP of 60.89, 60 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine is sourced from PubChem (CID 165035472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).