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

C176H140N6 — CID 157181107

IUPAC9-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
SMILESCc1ccc(N(c2ccc(C3CCCCC3)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C4CCCCC4)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/2C62H44N2.C52H52N2/c1-7-23-45(24-8-1)49-39-50(46-25-9-2-10-26-46)42-55(41-49)63(53-31-15-5-16-32-53)61-57-35-19-21-37-59(57)62(60-38-22-20-36-58(60)61)64(54-33-17-6-18-34-54)56-43-51(47-27-11-3-12-28-47)40-52(44-56)48-29-13-4-14-30-48;1-5-21-45(22-6-1)49-29-17-33-53(41-49)63(54-34-18-30-50(42-54)46-23-7-2-8-24-46)61-57-37-13-15-39-59(57)62(60-40-16-14-38-58(60)61)64(55-35-19-31-51(43-55)47-25-9-3-10-26-47)56-36-20-32-52(44-56)48-27-11-4-12-28-48;1-37-21-29-43(30-22-37)53(45-33-25-41(26-34-45)39-13-5-3-6-14-39)51-47-17-9-11-19-49(47)52(50-20-12-10-18-48(50)51)54(44-31-23-38(2)24-32-44)46-35-27-42(28-36-46)40-15-7-4-8-16-40/h2*1-44H;9-12,17-36,39-40H,3-8,13-16H2,1-2H3
InChIKeyAOOQLKPQRAPGQA-UHFFFAOYSA-N
MW2339.10 g/mol
LogP50.85
Rot. Bonds28

About 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

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 (PubChem CID 157181107) has the molecular formula C176H140N6 and a molecular weight of 2339.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID157181107
Molecular FormulaC176H140N6
Molecular Weight2339.10 g/mol
Exact Mass2337.11
IUPAC Name9-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
SMILESCc1ccc(N(c2ccc(C3CCCCC3)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C4CCCCC4)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/2C62H44N2.C52H52N2/c1-7-23-45(24-8-1)49-39-50(46-25-9-2-10-26-46)42-55(41-49)63(53-31-15-5-16-32-53)61-57-35-19-21-37-59(57)62(60-38-22-20-36-58(60)61)64(54-33-17-6-18-34-54)56-43-51(47-27-11-3-12-28-47)40-52(44-56)48-29-13-4-14-30-48;1-5-21-45(22-6-1)49-29-17-33-53(41-49)63(54-34-18-30-50(42-54)46-23-7-2-8-24-46)61-57-37-13-15-39-59(57)62(60-40-16-14-38-58(60)61)64(55-35-19-31-51(43-55)47-25-9-3-10-26-47)56-36-20-32-52(44-56)48-27-11-4-12-28-48;1-37-21-29-43(30-22-37)53(45-33-25-41(26-34-45)39-13-5-3-6-14-39)51-47-17-9-11-19-49(47)52(50-20-12-10-18-48(50)51)54(44-31-23-38(2)24-32-44)46-35-27-42(28-36-46)40-15-7-4-8-16-40/h2*1-44H;9-12,17-36,39-40H,3-8,13-16H2,1-2H3
InChIKeyAOOQLKPQRAPGQA-UHFFFAOYSA-N
XLogP50.85
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002339.10
LogP ≤ 550.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-N,6-N-bis(4-cyclohexylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-diphenylanthracene-2,6-diamine;2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-diphenylanthracene-2,6-diamine;2-N,6-N-bis(4-cyclopropylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-diphenylanthracene-2,6-diamine
CID 159030240
3-N,9-N-bis(4-cyclohexylphenyl)-10-methyl-3-N,9-N-diphenylphenanthrene-3,9-diamine
CID 121277488
N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
4-N,20-N-bis(4-cyclohexylphenyl)-20-N-[6-[3-[4-[6-(N-[20-[4-(3,5-dimethylphenyl)-N-(6-phenyldibenzofuran-4-yl)anilino]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-3,5-dimethylanilino)dibenzofuran-4-yl]phenyl]phenyl]dibenzofuran-4-yl]-4-N-(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 167244473
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C3CCCCC3)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C4CCCCC4)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3c4ccccc4c(N(c4ccccc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3c4ccccc4c(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)c4)c4ccccc34)c2)cc1.
What is the InChIKey of 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?
The InChIKey is AOOQLKPQRAPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H44N2.C52H52N2/c1-7-23-45(24-8-1)49-39-50(46-25-9-2-10-26-46)42-55(41-49)63(53-31-15-5-16-32-53)61-57-35-19-21-37-59(57)62(60-38-22-20-36-58(60)61)64(54-33-17-6-18-34-54)56-43-51(47-27-11-3-12-28-47)40-52(44-56)48-29-13-4-14-30-48;1-5-21-45(22-6-1)49-29-17-33-53(41-49)63(54-34-18-30-50(42-54)46-23-7-2-8-24-46)61-57-37-13-15-39-59(57)62(60-40-16-14-38-58(60)61)64(55-35-19-31-51(43-55)47-25-9-3-10-26-47)56-36-20-32-52(44-56)48-27-11-4-12-28-48;1-37-21-29-43(30-22-37)53(45-33-25-41(26-34-45)39-13-5-3-6-14-39)51-47-17-9-11-19-49(47)52(50-20-12-10-18-48(50)51)54(44-31-23-38(2)24-32-44)46-35-27-42(28-36-46)40-15-7-4-8-16-40/h2*1-44H;9-12,17-36,39-40H,3-8,13-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2339.10 g/mol, XLogP of 50.85, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157181107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).