3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole

C152H164N10O6S3 — CID 159029076

IUPAC3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)nc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1
InChIInChI=1S/C52H56N2O2S.2C50H54N4O2S/c1-49(2,3)33-13-25-45-41(29-33)42-30-34(50(4,5)6)14-26-46(42)53(45)37-17-21-39(22-18-37)57(55,56)40-23-19-38(20-24-40)54-47-27-15-35(51(7,8)9)31-43(47)44-32-36(52(10,11)12)16-28-48(44)54;1-47(2,3)31-13-19-41-37(25-31)38-26-32(48(4,5)6)14-20-42(38)53(41)45-23-17-35(29-51-45)57(55,56)36-18-24-46(52-30-36)54-43-21-15-33(49(7,8)9)27-39(43)40-28-34(50(10,11)12)16-22-44(40)54;1-47(2,3)31-13-19-41-37(25-31)38-26-32(48(4,5)6)14-20-42(38)53(41)35-17-23-45(51-29-35)57(55,56)46-24-18-36(30-52-46)54-43-21-15-33(49(7,8)9)27-39(43)40-28-34(50(10,11)12)16-22-44(40)54/h13-32H,1-12H3;2*13-30H,1-12H3
InChIKeyJUQMIWNYLPKHCX-UHFFFAOYSA-N
MW2323.25 g/mol
LogP39.29
Rot. Bonds12

About 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole

3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole (PubChem CID 159029076) has the molecular formula C152H164N10O6S3 and a molecular weight of 2323.25 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole
PubChem CID159029076
Molecular FormulaC152H164N10O6S3
Molecular Weight2323.25 g/mol
Exact Mass2321.20
IUPAC Name3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)nc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1
InChIInChI=1S/C52H56N2O2S.2C50H54N4O2S/c1-49(2,3)33-13-25-45-41(29-33)42-30-34(50(4,5)6)14-26-46(42)53(45)37-17-21-39(22-18-37)57(55,56)40-23-19-38(20-24-40)54-47-27-15-35(51(7,8)9)31-43(47)44-32-36(52(10,11)12)16-28-48(44)54;1-47(2,3)31-13-19-41-37(25-31)38-26-32(48(4,5)6)14-20-42(38)53(41)45-23-17-35(29-51-45)57(55,56)36-18-24-46(52-30-36)54-43-21-15-33(49(7,8)9)27-39(43)40-28-34(50(10,11)12)16-22-44(40)54;1-47(2,3)31-13-19-41-37(25-31)38-26-32(48(4,5)6)14-20-42(38)53(41)35-17-23-45(51-29-35)57(55,56)46-24-18-36(30-52-46)54-43-21-15-33(49(7,8)9)27-39(43)40-28-34(50(10,11)12)16-22-44(40)54/h13-32H,1-12H3;2*13-30H,1-12H3
InChIKeyJUQMIWNYLPKHCX-UHFFFAOYSA-N
XLogP39.29
TPSA183.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.25
LogP ≤ 539.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole (CID 159029076) is 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)nc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)nc2)cn1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole?
The InChIKey is JUQMIWNYLPKHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56N2O2S.2C50H54N4O2S/c1-49(2,3)33-13-25-45-41(29-33)42-30-34(50(4,5)6)14-26-46(42)53(45)37-17-21-39(22-18-37)57(55,56)40-23-19-38(20-24-40)54-47-27-15-35(51(7,8)9)31-43(47)44-32-36(52(10,11)12)16-28-48(44)54;1-47(2,3)31-13-19-41-37(25-31)38-26-32(48(4,5)6)14-20-42(38)53(41)45-23-17-35(29-51-45)57(55,56)36-18-24-46(52-30-36)54-43-21-15-33(49(7,8)9)27-39(43)40-28-34(50(10,11)12)16-22-44(40)54;1-47(2,3)31-13-19-41-37(25-31)38-26-32(48(4,5)6)14-20-42(38)53(41)35-17-23-45(51-29-35)57(55,56)46-24-18-36(30-52-46)54-43-21-15-33(49(7,8)9)27-39(43)40-28-34(50(10,11)12)16-22-44(40)54/h13-32H,1-12H3;2*13-30H,1-12H3.
What are the key properties of 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole?
3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole has a molecular weight of 2323.25 g/mol, XLogP of 39.29, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[5-[[6-(3,6-ditert-butylcarbazol-9-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]carbazole;3,6-ditert-butyl-9-[6-[[5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridinyl]sulfonyl]-3-pyridinyl]carbazole is sourced from PubChem (CID 159029076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).