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

C234H176N6 — CID 159526206

IUPAC2-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
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc2cc(-c3c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c(-c4cccc5ccccc45)c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc34)ccc2c1
InChIInChI=1S/C94H72N2.C74H48N2.C66H56N2/c1-91(2)81-29-17-13-25-69(81)73-43-37-65(53-85(73)91)95(66-38-44-74-70-26-14-18-30-82(70)92(3,4)86(74)54-66)63-41-47-77-79(51-63)89(61-35-33-57-21-9-11-23-59(57)49-61)78-48-42-64(52-80(78)90(77)62-36-34-58-22-10-12-24-60(58)50-62)96(67-39-45-75-71-27-15-19-31-83(71)93(5,6)87(75)55-67)68-40-46-76-72-28-16-20-32-84(72)94(7,8)88(76)56-68;1-6-20-55-42-60(29-28-49(55)14-1)73-69-40-38-66(76(63-36-32-52-17-4-9-23-58(52)45-63)64-37-33-53-18-5-10-24-59(53)46-64)48-72(69)74(68-27-13-25-54-19-11-12-26-67(54)68)70-41-39-65(47-71(70)73)75(61-34-30-50-15-2-7-21-56(50)43-61)62-35-31-51-16-3-8-22-57(51)44-62;1-65(2,3)51-29-33-55(34-30-51)67(53-21-9-7-10-22-53)57-37-39-59-61(43-57)63(49-27-25-45-17-13-15-19-47(45)41-49)60-40-38-58(44-62(60)64(59)50-28-26-46-18-14-16-20-48(46)42-50)68(54-23-11-8-12-24-54)56-35-31-52(32-36-56)66(4,5)6/h9-56H,1-8H3;1-48H;7-44H,1-6H3
InChIKeyMCKIYLFKPQQQSM-UHFFFAOYSA-N
MW3072.02 g/mol
LogP66.15
Rot. Bonds24

About 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

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 (PubChem CID 159526206) has the molecular formula C234H176N6 and a molecular weight of 3072.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159526206
Molecular FormulaC234H176N6
Molecular Weight3072.02 g/mol
Exact Mass3069.40
IUPAC Name2-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
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc2cc(-c3c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c(-c4cccc5ccccc45)c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc34)ccc2c1
InChIInChI=1S/C94H72N2.C74H48N2.C66H56N2/c1-91(2)81-29-17-13-25-69(81)73-43-37-65(53-85(73)91)95(66-38-44-74-70-26-14-18-30-82(70)92(3,4)86(74)54-66)63-41-47-77-79(51-63)89(61-35-33-57-21-9-11-23-59(57)49-61)78-48-42-64(52-80(78)90(77)62-36-34-58-22-10-12-24-60(58)50-62)96(67-39-45-75-71-27-15-19-31-83(71)93(5,6)87(75)55-67)68-40-46-76-72-28-16-20-32-84(72)94(7,8)88(76)56-68;1-6-20-55-42-60(29-28-49(55)14-1)73-69-40-38-66(76(63-36-32-52-17-4-9-23-58(52)45-63)64-37-33-53-18-5-10-24-59(53)46-64)48-72(69)74(68-27-13-25-54-19-11-12-26-67(54)68)70-41-39-65(47-71(70)73)75(61-34-30-50-15-2-7-21-56(50)43-61)62-35-31-51-16-3-8-22-57(51)44-62;1-65(2,3)51-29-33-55(34-30-51)67(53-21-9-7-10-22-53)57-37-39-59-61(43-57)63(49-27-25-45-17-13-15-19-47(45)41-49)60-40-38-58(44-62(60)64(59)50-28-26-46-18-14-16-20-48(46)42-50)68(54-23-11-8-12-24-54)56-35-31-52(32-36-56)66(4,5)6/h9-56H,1-8H3;1-48H;7-44H,1-6H3
InChIKeyMCKIYLFKPQQQSM-UHFFFAOYSA-N
XLogP66.15
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003072.02
LogP ≤ 566.15
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-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 with MolForge

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Related Compounds

9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-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;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159065491
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 159307663
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N-diphenyl-9,10-bis(2-phenylphenyl)-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 161381312
2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine
CID 159736025
7-[5-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]benzo[c]phenanthren-8-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-tert-butylphenyl)-6-[5-[6-(N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-6-[5-[6-(N-(4-methylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-6-[5-[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]naphthalen-2-amine
CID 159226758
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 158458255
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
10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5ccc6ccccc6c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc2cc(-c3c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c(-c4cccc5ccccc45)c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is MCKIYLFKPQQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H72N2.C74H48N2.C66H56N2/c1-91(2)81-29-17-13-25-69(81)73-43-37-65(53-85(73)91)95(66-38-44-74-70-26-14-18-30-82(70)92(3,4)86(74)54-66)63-41-47-77-79(51-63)89(61-35-33-57-21-9-11-23-59(57)49-61)78-48-42-64(52-80(78)90(77)62-36-34-58-22-10-12-24-60(58)50-62)96(67-39-45-75-71-27-15-19-31-83(71)93(5,6)87(75)55-67)68-40-46-76-72-28-16-20-32-84(72)94(7,8)88(76)56-68;1-6-20-55-42-60(29-28-49(55)14-1)73-69-40-38-66(76(63-36-32-52-17-4-9-23-58(52)45-63)64-37-33-53-18-5-10-24-59(53)46-64)48-72(69)74(68-27-13-25-54-19-11-12-26-67(54)68)70-41-39-65(47-71(70)73)75(61-34-30-50-15-2-7-21-56(50)43-61)62-35-31-51-16-3-8-22-57(51)44-62;1-65(2,3)51-29-33-55(34-30-51)67(53-21-9-7-10-22-53)57-37-39-59-61(43-57)63(49-27-25-45-17-13-15-19-47(45)41-49)60-40-38-58(44-62(60)64(59)50-28-26-46-18-14-16-20-48(46)42-50)68(54-23-11-8-12-24-54)56-35-31-52(32-36-56)66(4,5)6/h9-56H,1-8H3;1-48H;7-44H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 3072.02 g/mol, XLogP of 66.15, 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-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 is sourced from PubChem (CID 159526206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).