2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine

C210H200N6 — CID 161230090

IUPAC2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(C4CCCCC4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(C5CCCCC5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(C5CCCCC5)c4c3)cc21.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(C5CCCCC5)c4c3)ccc2c1
InChIInChI=1S/C86H80N2.C66H56N2.C58H64N2/c1-83(2)73-31-19-15-27-61(73)65-41-35-57(49-77(65)83)87(58-36-42-66-62-28-16-20-32-74(62)84(3,4)78(66)50-58)55-39-45-69-71(47-55)81(53-23-11-9-12-24-53)70-46-40-56(48-72(70)82(69)54-25-13-10-14-26-54)88(59-37-43-67-63-29-17-21-33-75(63)85(5,6)79(67)51-59)60-38-44-68-64-30-18-22-34-76(64)86(7,8)80(68)52-60;1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56;1-57(2,3)43-27-31-47(32-28-43)59(45-23-15-9-16-24-45)49-35-37-51-53(39-49)55(41-19-11-7-12-20-41)52-38-36-50(40-54(52)56(51)42-21-13-8-14-22-42)60(46-25-17-10-18-26-46)48-33-29-44(30-34-48)58(4,5)6/h15-22,27-54H,9-14,23-26H2,1-8H3;7-18,23-44,49-50H,1-6,19-22H2;9-10,15-18,23-42H,7-8,11-14,19-22H2,1-6H3
InChIKeyUYQDHUCZWJMUHG-UHFFFAOYSA-N
MW2807.95 g/mol
LogP61.52
Rot. Bonds24

About 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine

2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine (PubChem CID 161230090) has the molecular formula C210H200N6 and a molecular weight of 2807.95 g/mol. Its IUPAC name is 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine
PubChem CID161230090
Molecular FormulaC210H200N6
Molecular Weight2807.95 g/mol
Exact Mass2805.58
IUPAC Name2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(C4CCCCC4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(C5CCCCC5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(C5CCCCC5)c4c3)cc21.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(C5CCCCC5)c4c3)ccc2c1
InChIInChI=1S/C86H80N2.C66H56N2.C58H64N2/c1-83(2)73-31-19-15-27-61(73)65-41-35-57(49-77(65)83)87(58-36-42-66-62-28-16-20-32-74(62)84(3,4)78(66)50-58)55-39-45-69-71(47-55)81(53-23-11-9-12-24-53)70-46-40-56(48-72(70)82(69)54-25-13-10-14-26-54)88(59-37-43-67-63-29-17-21-33-75(63)85(5,6)79(67)51-59)60-38-44-68-64-30-18-22-34-76(64)86(7,8)80(68)52-60;1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56;1-57(2,3)43-27-31-47(32-28-43)59(45-23-15-9-16-24-45)49-35-37-51-53(39-49)55(41-19-11-7-12-20-41)52-38-36-50(40-54(52)56(51)42-21-13-8-14-22-42)60(46-25-17-10-18-26-46)48-33-29-44(30-34-48)58(4,5)6/h15-22,27-54H,9-14,23-26H2,1-8H3;7-18,23-44,49-50H,1-6,19-22H2;9-10,15-18,23-42H,7-8,11-14,19-22H2,1-6H3
InChIKeyUYQDHUCZWJMUHG-UHFFFAOYSA-N
XLogP61.52
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002807.95
LogP ≤ 561.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine with MolForge

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Related Compounds

9,10-dicyclohexyl-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(4-tert-butylphenyl)-9,10-dicyclohexylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 162028045
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-bis(9,9-dimethylfluoren-2-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573299
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286768
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
3-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylphenyl)-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 177286665
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7-propan-2-ylphenanthren-2-amine
CID 59308503
6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
CID 160617810
12,12,20,20-tetramethyl-N-naphthalen-2-yl-N,2,16-triphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaen-9-amine
CID 89024604

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine (CID 161230090) is 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(C4CCCCC4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(C5CCCCC5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(C5CCCCC5)c4c3)cc21.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)ccc5c(C5CCCCC5)c4c3)ccc2c1.
What is the InChIKey of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine?
The InChIKey is UYQDHUCZWJMUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H80N2.C66H56N2.C58H64N2/c1-83(2)73-31-19-15-27-61(73)65-41-35-57(49-77(65)83)87(58-36-42-66-62-28-16-20-32-74(62)84(3,4)78(66)50-58)55-39-45-69-71(47-55)81(53-23-11-9-12-24-53)70-46-40-56(48-72(70)82(69)54-25-13-10-14-26-54)88(59-37-43-67-63-29-17-21-33-75(63)85(5,6)79(67)51-59)60-38-44-68-64-30-18-22-34-76(64)86(7,8)80(68)52-60;1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56;1-57(2,3)43-27-31-47(32-28-43)59(45-23-15-9-16-24-45)49-35-37-51-53(39-49)55(41-19-11-7-12-20-41)52-38-36-50(40-54(52)56(51)42-21-13-8-14-22-42)60(46-25-17-10-18-26-46)48-33-29-44(30-34-48)58(4,5)6/h15-22,27-54H,9-14,23-26H2,1-8H3;7-18,23-44,49-50H,1-6,19-22H2;9-10,15-18,23-42H,7-8,11-14,19-22H2,1-6H3.
What are the key properties of 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine?
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine has a molecular weight of 2807.95 g/mol, XLogP of 61.52, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-tert-butylphenyl)-9,10-dicyclohexyl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)anthracene-2,6-diamine;9,10-dicyclohexyl-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine is sourced from PubChem (CID 161230090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).