2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene

C106H94N2 — CID 159947296

IUPAC2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C54H60N2.C52H34/c1-35(2)39-17-27-45(28-18-39)55(43-23-13-37(5)14-24-43)51-47-31-21-42(54(10,11)12)34-50(47)52(48-32-22-41(33-49(48)51)53(7,8)9)56(44-25-15-38(6)16-26-44)46-29-19-40(20-30-46)36(3)4;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h13-36H,1-12H3;1-34H
InChIKeyOBQOTBNUUAFTFH-UHFFFAOYSA-N
MW1395.93 g/mol
LogP31.03
Rot. Bonds13

About 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene

2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 159947296) has the molecular formula C106H94N2 and a molecular weight of 1395.93 g/mol. Its IUPAC name is 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
PubChem CID159947296
Molecular FormulaC106H94N2
Molecular Weight1395.93 g/mol
Exact Mass1394.74
IUPAC Name2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C54H60N2.C52H34/c1-35(2)39-17-27-45(28-18-39)55(43-23-13-37(5)14-24-43)51-47-31-21-42(54(10,11)12)34-50(47)52(48-32-22-41(33-49(48)51)53(7,8)9)56(44-25-15-38(6)16-26-44)46-29-19-40(20-30-46)36(3)4;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h13-36H,1-12H3;1-34H
InChIKeyOBQOTBNUUAFTFH-UHFFFAOYSA-N
XLogP31.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.93
LogP ≤ 531.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene with MolForge

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Related Compounds

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
2-tert-butyl-9-N,10-N-bis[4-(dimethylamino)phenyl]-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,10-N-bis(4-methylphenyl)-6-propan-2-yl-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(2-phenylpropan-2-yl)anthracene-9,10-diamine
CID 157346432
10-[4-(N-(4-butan-2-ylphenyl)anilino)phenyl]-2,6-ditert-butyl-N-phenyl-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 89058649
9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-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 158449345
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene
CID 163430298
3,9-ditert-butyl-6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-(N-(3,5-dimethylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-diphenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine;5,11-ditert-butyl-3-N,3-N,9-N,9-N-tetrakis(3-methylphenyl)perylene-3,9-diamine;2,8-ditert-butyl-5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 157495110
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426485
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene
CID 162426493
9-(10-carbazol-9-yl-2,6-diphenylanthracen-9-yl)carbazole;9-(2,6-ditert-butyl-10-carbazol-9-ylanthracen-9-yl)carbazole;9-[2,6-ditert-butyl-10-[3,6-di(propan-2-yl)carbazol-9-yl]anthracen-9-yl]-3,6-di(propan-2-yl)carbazole;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
CID 158119370

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
The IUPAC name of 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene (CID 159947296) is 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
The canonical SMILES for 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene is Cc1ccc(N(c2ccc(C(C)C)cc2)c2c3ccc(C(C)(C)C)cc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
The InChIKey is OBQOTBNUUAFTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H60N2.C52H34/c1-35(2)39-17-27-45(28-18-39)55(43-23-13-37(5)14-24-43)51-47-31-21-42(54(10,11)12)34-50(47)52(48-32-22-41(33-49(48)51)53(7,8)9)56(44-25-15-38(6)16-26-44)46-29-19-40(20-30-46)36(3)4;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h13-36H,1-12H3;1-34H.
What are the key properties of 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene?
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene has a molecular weight of 1395.93 g/mol, XLogP of 31.03, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 159947296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).