3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole

C97H105N11O4S2 — CID 158973407

IUPAC3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2cnc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)cn1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cnc(S(=O)(=O)c2cnc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)cn1
InChIInChI=1S/C49H53N5O2S.C48H52N6O2S/c1-46(2,3)30-13-18-39-35(23-30)36-24-31(47(4,5)6)14-19-40(36)53(39)43-22-17-34(27-50-43)57(55,56)45-29-51-44(28-52-45)54-41-20-15-32(48(7,8)9)25-37(41)38-26-33(49(10,11)12)16-21-42(38)54;1-45(2,3)29-13-17-37-33(21-29)34-22-30(46(4,5)6)14-18-38(34)53(37)41-25-51-43(27-49-41)57(55,56)44-28-50-42(26-52-44)54-39-19-15-31(47(7,8)9)23-35(39)36-24-32(48(10,11)12)16-20-40(36)54/h13-29H,1-12H3;13-28H,1-12H3
InChIKeyJOCBKMQZFCXWGE-UHFFFAOYSA-N
MW1553.11 g/mol
LogP23.57
Rot. Bonds8

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

3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole (PubChem CID 158973407) has the molecular formula C97H105N11O4S2 and a molecular weight of 1553.11 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole
PubChem CID158973407
Molecular FormulaC97H105N11O4S2
Molecular Weight1553.11 g/mol
Exact Mass1551.78
IUPAC Name3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2cnc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)cn1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cnc(S(=O)(=O)c2cnc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)cn1
InChIInChI=1S/C49H53N5O2S.C48H52N6O2S/c1-46(2,3)30-13-18-39-35(23-30)36-24-31(47(4,5)6)14-19-40(36)53(39)43-22-17-34(27-50-43)57(55,56)45-29-51-44(28-52-45)54-41-20-15-32(48(7,8)9)25-37(41)38-26-33(49(10,11)12)16-21-42(38)54;1-45(2,3)29-13-17-37-33(21-29)34-22-30(46(4,5)6)14-18-38(34)53(37)41-25-51-43(27-49-41)57(55,56)44-28-50-42(26-52-44)54-39-19-15-31(47(7,8)9)23-35(39)36-24-32(48(10,11)12)16-20-40(36)54/h13-29H,1-12H3;13-28H,1-12H3
InChIKeyJOCBKMQZFCXWGE-UHFFFAOYSA-N
XLogP23.57
TPSA178.23 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.11
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole (CID 158973407) is 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(S(=O)(=O)c2cnc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)cn1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cnc(S(=O)(=O)c2cnc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cn2)cn1.
What is the InChIKey of 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole?
The InChIKey is JOCBKMQZFCXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H53N5O2S.C48H52N6O2S/c1-46(2,3)30-13-18-39-35(23-30)36-24-31(47(4,5)6)14-19-40(36)53(39)43-22-17-34(27-50-43)57(55,56)45-29-51-44(28-52-45)54-41-20-15-32(48(7,8)9)25-37(41)38-26-33(49(10,11)12)16-21-42(38)54;1-45(2,3)29-13-17-37-33(21-29)34-22-30(46(4,5)6)14-18-38(34)53(37)41-25-51-43(27-49-41)57(55,56)44-28-50-42(26-52-44)54-39-19-15-31(47(7,8)9)23-35(39)36-24-32(48(10,11)12)16-20-40(36)54/h13-29H,1-12H3;13-28H,1-12H3.
What are the key properties of 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole?
3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole has a molecular weight of 1553.11 g/mol, XLogP of 23.57, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonylpyrazin-2-yl]carbazole;3,6-ditert-butyl-9-[5-[5-(3,6-ditert-butylcarbazol-9-yl)pyrazin-2-yl]sulfonyl-2-pyridinyl]carbazole is sourced from PubChem (CID 158973407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).