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

C156H144N4 — CID 157143874

IUPAC3,6-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cccc(-c4ccccc4)c3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/2C78H72N2/c1-75(2,3)55-29-37-69-63(43-55)64-44-56(76(4,5)6)30-38-70(64)79(69)59-33-35-61-67(47-59)73(53-27-19-25-51(41-53)49-21-15-13-16-22-49)62-36-34-60(48-68(62)74(61)54-28-20-26-52(42-54)50-23-17-14-18-24-50)80-71-39-31-57(77(7,8)9)45-65(71)66-46-58(78(10,11)12)32-40-72(66)80;1-75(2,3)55-31-39-69-63(43-55)64-44-56(76(4,5)6)32-40-70(64)79(69)59-35-37-61-67(47-59)73(53-27-23-51(24-28-53)49-19-15-13-16-20-49)62-38-36-60(48-68(62)74(61)54-29-25-52(26-30-54)50-21-17-14-18-22-50)80-71-41-33-57(77(7,8)9)45-65(71)66-46-58(78(10,11)12)34-42-72(66)80/h2*13-48H,1-12H3
InChIKeyAKMKCYSMLHJBMA-UHFFFAOYSA-N
MW2074.90 g/mol
LogP44.09
Rot. Bonds12

About 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

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 (PubChem CID 157143874) has the molecular formula C156H144N4 and a molecular weight of 2074.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID157143874
Molecular FormulaC156H144N4
Molecular Weight2074.90 g/mol
Exact Mass2073.14
IUPAC Name3,6-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cccc(-c4ccccc4)c3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/2C78H72N2/c1-75(2,3)55-29-37-69-63(43-55)64-44-56(76(4,5)6)30-38-70(64)79(69)59-33-35-61-67(47-59)73(53-27-19-25-51(41-53)49-21-15-13-16-22-49)62-36-34-60(48-68(62)74(61)54-28-20-26-52(42-54)50-23-17-14-18-24-50)80-71-39-31-57(77(7,8)9)45-65(71)66-46-58(78(10,11)12)32-40-72(66)80;1-75(2,3)55-31-39-69-63(43-55)64-44-56(76(4,5)6)32-40-70(64)79(69)59-35-37-61-67(47-59)73(53-27-23-51(24-28-53)49-19-15-13-16-20-49)62-38-36-60(48-68(62)74(61)54-29-25-52(26-30-54)50-21-17-14-18-22-50)80-71-41-33-57(77(7,8)9)45-65(71)66-46-58(78(10,11)12)34-42-72(66)80/h2*13-48H,1-12H3
InChIKeyAKMKCYSMLHJBMA-UHFFFAOYSA-N
XLogP44.09
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002074.90
LogP ≤ 544.09
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(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 with MolForge

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Related Compounds

3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
6-tert-butyl-29-(3,6-ditert-butylcarbazol-9-yl)-32-(3,5-diphenylphenyl)-14,14-dimethyl-22-phenyl-2-azanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15,17,19(39),20(38),21,23,25,27,29,31,33(37),34-nonadecaene
CID 59357130
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
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
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
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
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
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-(4-tert-butyl-2-methylphenyl)-6-[6-[6-(4-tert-butylphenyl)-9-phenylcarbazol-3-yl]-9,10-diphenylanthracen-2-yl]-9-phenylcarbazole
CID 90068525

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(-c3cccc(-c4ccccc4)c3)c3cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)ccc3c(-c3cccc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 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?
The InChIKey is AKMKCYSMLHJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H72N2/c1-75(2,3)55-29-37-69-63(43-55)64-44-56(76(4,5)6)30-38-70(64)79(69)59-33-35-61-67(47-59)73(53-27-19-25-51(41-53)49-21-15-13-16-22-49)62-36-34-60(48-68(62)74(61)54-28-20-26-52(42-54)50-23-17-14-18-24-50)80-71-39-31-57(77(7,8)9)45-65(71)66-46-58(78(10,11)12)32-40-72(66)80;1-75(2,3)55-31-39-69-63(43-55)64-44-56(76(4,5)6)32-40-70(64)79(69)59-35-37-61-67(47-59)73(53-27-23-51(24-28-53)49-19-15-13-16-20-49)62-38-36-60(48-68(62)74(61)54-29-25-52(26-30-54)50-21-17-14-18-22-50)80-71-41-33-57(77(7,8)9)45-65(71)66-46-58(78(10,11)12)34-42-72(66)80/h2*13-48H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 2074.90 g/mol, XLogP of 44.09, 12 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(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 is sourced from PubChem (CID 157143874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).