3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole

C136H136N4 — CID 160622182

IUPAC3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole
SMILESCc1cccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3cccc(C)c3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)c1.Cc1ccccc1-c1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c(-c2ccccc2C)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc12
InChIInChI=1S/2C68H68N2/c1-41-17-15-19-43(33-41)63-51-27-25-50(70-61-31-23-47(67(9,10)11)37-55(61)56-38-48(68(12,13)14)24-32-62(56)70)40-58(51)64(44-20-16-18-42(2)34-44)52-28-26-49(39-57(52)63)69-59-29-21-45(65(3,4)5)35-53(59)54-36-46(66(6,7)8)22-30-60(54)69;1-41-19-15-17-21-49(41)63-51-29-27-48(70-61-33-25-45(67(9,10)11)37-55(61)56-38-46(68(12,13)14)26-34-62(56)70)40-58(51)64(50-22-18-16-20-42(50)2)52-30-28-47(39-57(52)63)69-59-31-23-43(65(3,4)5)35-53(59)54-36-44(66(6,7)8)24-32-60(54)69/h2*15-40H,1-14H3
InChIKeyRGVPLNCYHBTRNF-UHFFFAOYSA-N
MW1826.61 g/mol
LogP38.66
Rot. Bonds8

About 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole

3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole (PubChem CID 160622182) has the molecular formula C136H136N4 and a molecular weight of 1826.61 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole
PubChem CID160622182
Molecular FormulaC136H136N4
Molecular Weight1826.61 g/mol
Exact Mass1825.08
IUPAC Name3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole
SMILESCc1cccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3cccc(C)c3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)c1.Cc1ccccc1-c1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c(-c2ccccc2C)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc12
InChIInChI=1S/2C68H68N2/c1-41-17-15-19-43(33-41)63-51-27-25-50(70-61-31-23-47(67(9,10)11)37-55(61)56-38-48(68(12,13)14)24-32-62(56)70)40-58(51)64(44-20-16-18-42(2)34-44)52-28-26-49(39-57(52)63)69-59-29-21-45(65(3,4)5)35-53(59)54-36-46(66(6,7)8)22-30-60(54)69;1-41-19-15-17-21-49(41)63-51-29-27-48(70-61-33-25-45(67(9,10)11)37-55(61)56-38-46(68(12,13)14)26-34-62(56)70)40-58(51)64(50-22-18-16-20-42(50)2)52-30-28-47(39-57(52)63)69-59-31-23-43(65(3,4)5)35-53(59)54-36-44(66(6,7)8)24-32-60(54)69/h2*15-40H,1-14H3
InChIKeyRGVPLNCYHBTRNF-UHFFFAOYSA-N
XLogP38.66
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001826.61
LogP ≤ 538.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole with MolForge

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Related Compounds

9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
3,6-ditert-butyl-9-[4-(2-tert-butyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 163845433
9-[9,10-bis(4-tert-butylphenyl)-6-carbazol-9-ylanthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3,5-dimethylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 158826661
3-tert-butyl-6-[4-[4-[10-[4-[4-[6-tert-butyl-9-(3-methylphenyl)carbazol-3-yl]phenyl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[10-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-phenylcarbazole
CID 162186342
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
CID 59357188
9-[4-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991829
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
9-[3-[2-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-(2-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)phenyl]carbazole;9-[3-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 161317938
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(4-methylphenyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis[4-(trifluoromethyl)phenyl]anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 158118033
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357271
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dinaphthalen-1-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 59357240

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole (CID 160622182) is 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole is Cc1cccc(-c2c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3c(-c3cccc(C)c3)c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc23)c1.Cc1ccccc1-c1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c(-c2ccccc2C)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc12.
What is the InChIKey of 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole?
The InChIKey is RGVPLNCYHBTRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H68N2/c1-41-17-15-19-43(33-41)63-51-27-25-50(70-61-31-23-47(67(9,10)11)37-55(61)56-38-48(68(12,13)14)24-32-62(56)70)40-58(51)64(44-20-16-18-42(2)34-44)52-28-26-49(39-57(52)63)69-59-29-21-45(65(3,4)5)35-53(59)54-36-46(66(6,7)8)22-30-60(54)69;1-41-19-15-17-21-49(41)63-51-29-27-48(70-61-33-25-45(67(9,10)11)37-55(61)56-38-46(68(12,13)14)26-34-62(56)70)40-58(51)64(50-22-18-16-20-42(50)2)52-30-28-47(39-57(52)63)69-59-31-23-43(65(3,4)5)35-53(59)54-36-44(66(6,7)8)24-32-60(54)69/h2*15-40H,1-14H3.
What are the key properties of 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole?
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole has a molecular weight of 1826.61 g/mol, XLogP of 38.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(2-methylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-methylphenyl)anthracen-2-yl]carbazole is sourced from PubChem (CID 160622182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).