6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline

C47H29N7 — CID 102111290

IUPAC6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline
SMILESCc1ccc(-n2c3ccc(-n4c5ccccc5c5nc6ccccc6nc54)cc3c3cc(-n4c5ccccc5c5nc6ccccc6nc54)ccc32)cc1
InChIInChI=1S/C47H29N7/c1-28-18-20-29(21-19-28)52-42-24-22-30(53-40-16-8-2-10-32(40)44-46(53)50-38-14-6-4-12-36(38)48-44)26-34(42)35-27-31(23-25-43(35)52)54-41-17-9-3-11-33(41)45-47(54)51-39-15-7-5-13-37(39)49-45/h2-27H,1H3
InChIKeyUOZBPMBHJPZEKN-UHFFFAOYSA-N
MW691.80 g/mol
LogP11.17
Rot. Bonds3

About 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline

6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline (PubChem CID 102111290) has the molecular formula C47H29N7 and a molecular weight of 691.80 g/mol. Its IUPAC name is 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline
PubChem CID102111290
Molecular FormulaC47H29N7
Molecular Weight691.80 g/mol
Exact Mass691.25
IUPAC Name6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline
SMILESCc1ccc(-n2c3ccc(-n4c5ccccc5c5nc6ccccc6nc54)cc3c3cc(-n4c5ccccc5c5nc6ccccc6nc54)ccc32)cc1
InChIInChI=1S/C47H29N7/c1-28-18-20-29(21-19-28)52-42-24-22-30(53-40-16-8-2-10-32(40)44-46(53)50-38-14-6-4-12-36(38)48-44)26-34(42)35-27-31(23-25-43(35)52)54-41-17-9-3-11-33(41)45-47(54)51-39-15-7-5-13-37(39)49-45/h2-27H,1H3
InChIKeyUOZBPMBHJPZEKN-UHFFFAOYSA-N
XLogP11.17
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.80
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline (CID 102111290) is 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline is Cc1ccc(-n2c3ccc(-n4c5ccccc5c5nc6ccccc6nc54)cc3c3cc(-n4c5ccccc5c5nc6ccccc6nc54)ccc32)cc1.
What is the InChIKey of 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline?
The InChIKey is UOZBPMBHJPZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N7/c1-28-18-20-29(21-19-28)52-42-24-22-30(53-40-16-8-2-10-32(40)44-46(53)50-38-14-6-4-12-36(38)48-44)26-34(42)35-27-31(23-25-43(35)52)54-41-17-9-3-11-33(41)45-47(54)51-39-15-7-5-13-37(39)49-45/h2-27H,1H3.
What are the key properties of 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline?
6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline has a molecular weight of 691.80 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-indolo[3,2-b]quinoxalin-6-yl-9-(4-methylphenyl)carbazol-3-yl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 102111290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).