3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole

C72H68N6 — CID 166019339

IUPAC3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2cccc(-c3cc(-c4cccc(-c5ccccc5)n4)cc(-c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)n4)n3)n2)cc1
InChIInChI=1S/C72H68N6/c1-69(2,3)49-30-27-45(28-31-49)47-29-35-63-53(39-47)54-42-50(70(4,5)6)32-36-64(54)77(63)67-25-17-23-59(75-67)61-40-48(58-22-16-21-57(73-58)46-19-14-13-15-20-46)41-62(74-61)60-24-18-26-68(76-60)78-65-37-33-51(71(7,8)9)43-55(65)56-44-52(72(10,11)12)34-38-66(56)78/h13-44H,1-12H3
InChIKeyAAAFGZALVUGGKK-UHFFFAOYSA-N
MW1017.38 g/mol
LogP18.99
Rot. Bonds7

About 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole

3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole (PubChem CID 166019339) has the molecular formula C72H68N6 and a molecular weight of 1017.38 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
PubChem CID166019339
Molecular FormulaC72H68N6
Molecular Weight1017.38 g/mol
Exact Mass1016.55
IUPAC Name3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2cccc(-c3cc(-c4cccc(-c5ccccc5)n4)cc(-c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)n4)n3)n2)cc1
InChIInChI=1S/C72H68N6/c1-69(2,3)49-30-27-45(28-31-49)47-29-35-63-53(39-47)54-42-50(70(4,5)6)32-36-64(54)77(63)67-25-17-23-59(75-67)61-40-48(58-22-16-21-57(73-58)46-19-14-13-15-20-46)41-62(74-61)60-24-18-26-68(76-60)78-65-37-33-51(71(7,8)9)43-55(65)56-44-52(72(10,11)12)34-38-66(56)78/h13-44H,1-12H3
InChIKeyAAAFGZALVUGGKK-UHFFFAOYSA-N
XLogP18.99
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.38
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole with MolForge

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Related Compounds

9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
CID 165167529
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
3,6-bis(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 159534623
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 160598852
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
5,7-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]indolo[2,3-b]carbazole;5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 157405731
3-tert-butyl-9-[2-(4-tert-butylphenyl)-4-pyridinyl]-6-phenylcarbazole
CID 140803296
9-[6-[2-[4-(6-carbazol-9-yl-2-pyridinyl)-6-phenylpyrimidin-2-yl]-6-phenylpyrimidin-4-yl]-2-pyridinyl]carbazole
CID 59500751
9-(6-dibenzothiophen-2-yl-2-pyridinyl)-3,6-diphenylcarbazole
CID 132552465

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole (CID 166019339) is 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole is CC(C)(C)c1ccc(-c2ccc3c(c2)c2cc(C(C)(C)C)ccc2n3-c2cccc(-c3cc(-c4cccc(-c5ccccc5)n4)cc(-c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)n4)n3)n2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole?
The InChIKey is AAAFGZALVUGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H68N6/c1-69(2,3)49-30-27-45(28-31-49)47-29-35-63-53(39-47)54-42-50(70(4,5)6)32-36-64(54)77(63)67-25-17-23-59(75-67)61-40-48(58-22-16-21-57(73-58)46-19-14-13-15-20-46)41-62(74-61)60-24-18-26-68(76-60)78-65-37-33-51(71(7,8)9)43-55(65)56-44-52(72(10,11)12)34-38-66(56)78/h13-44H,1-12H3.
What are the key properties of 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole?
3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole has a molecular weight of 1017.38 g/mol, XLogP of 18.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[6-[6-[6-[3-tert-butyl-6-(4-tert-butylphenyl)carbazol-9-yl]-2-pyridinyl]-4-(6-phenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 166019339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).