7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole

C62H33N5O3 — CID 126631130

IUPAC7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc2c1
InChIInChI=1S/C62H33N5O3/c1-7-19-49-35(13-1)41-28-44-38-16-4-10-22-55(38)68-58(44)31-52(41)65(49)34-25-26-47-48(27-34)64-62(67-51-21-9-3-15-37(51)43-30-46-40-18-6-12-24-57(40)70-60(46)33-54(43)67)61(63-47)66-50-20-8-2-14-36(50)42-29-45-39-17-5-11-23-56(39)69-59(45)32-53(42)66/h1-33H
InChIKeyINHRZBXCYCJOPX-UHFFFAOYSA-N
MW895.98 g/mol
LogP16.62
Rot. Bonds3

About 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole

7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 126631130) has the molecular formula C62H33N5O3 and a molecular weight of 895.98 g/mol. Its IUPAC name is 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID126631130
Molecular FormulaC62H33N5O3
Molecular Weight895.98 g/mol
Exact Mass895.26
IUPAC Name7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc2c1
InChIInChI=1S/C62H33N5O3/c1-7-19-49-35(13-1)41-28-44-38-16-4-10-22-55(38)68-58(44)31-52(41)65(49)34-25-26-47-48(27-34)64-62(67-51-21-9-3-15-37(51)43-30-46-40-18-6-12-24-57(40)70-60(46)33-54(43)67)61(63-47)66-50-20-8-2-14-36(50)42-29-45-39-17-5-11-23-56(39)69-59(45)32-53(42)66/h1-33H
InChIKeyINHRZBXCYCJOPX-UHFFFAOYSA-N
XLogP16.62
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.98
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632703
7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
CID 167259971
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
5-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)quinoxalin-6-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632768
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092

Frequently Asked Questions

What is the IUPAC name of 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole (CID 126631130) is 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc2c1.
What is the InChIKey of 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is INHRZBXCYCJOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H33N5O3/c1-7-19-49-35(13-1)41-28-44-38-16-4-10-22-55(38)68-58(44)31-52(41)65(49)34-25-26-47-48(27-34)64-62(67-51-21-9-3-15-37(51)43-30-46-40-18-6-12-24-57(40)70-60(46)33-54(43)67)61(63-47)66-50-20-8-2-14-36(50)42-29-45-39-17-5-11-23-56(39)69-59(45)32-53(42)66/h1-33H.
What are the key properties of 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole?
7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 895.98 g/mol, XLogP of 16.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 126631130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).