3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole

C114H68N10O2 — CID 129190405

IUPAC3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc9oc%10cc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc(-c%14cccc(-n%15c%16ccccc%16c%16cc(-n%17c%18ccccc%18c%18cc%19oc%20ccccc%20c%19cc%18%17)ccc%16%15)c%14)c%13)n%12)c%11)ccc%10c9cc87)ccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C114H68N10O2/c1-4-23-71(24-5-1)109-115-110(72-25-6-2-7-26-72)117-112(116-109)74-47-45-69(46-48-74)70-49-52-81(53-50-70)121-97-40-15-10-35-85(97)91-63-83(54-57-101(91)121)124-100-43-18-13-38-88(100)94-68-108-96(66-104(94)124)90-56-51-78(62-106(90)126-108)76-30-21-33-80(60-76)114-119-111(73-27-8-3-9-28-73)118-113(120-114)79-32-20-29-75(59-79)77-31-22-34-82(61-77)122-98-41-16-11-36-86(98)92-64-84(55-58-102(92)122)123-99-42-17-12-37-87(99)93-67-107-95(65-103(93)123)89-39-14-19-44-105(89)125-107/h1-68H
InChIKeyUOSSKWVTHYDFJP-UHFFFAOYSA-N
MW1609.87 g/mol
LogP29.25
Rot. Bonds13

About 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole

3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 129190405) has the molecular formula C114H68N10O2 and a molecular weight of 1609.87 g/mol. Its IUPAC name is 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID129190405
Molecular FormulaC114H68N10O2
Molecular Weight1609.87 g/mol
Exact Mass1608.55
IUPAC Name3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc9oc%10cc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc(-c%14cccc(-n%15c%16ccccc%16c%16cc(-n%17c%18ccccc%18c%18cc%19oc%20ccccc%20c%19cc%18%17)ccc%16%15)c%14)c%13)n%12)c%11)ccc%10c9cc87)ccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C114H68N10O2/c1-4-23-71(24-5-1)109-115-110(72-25-6-2-7-26-72)117-112(116-109)74-47-45-69(46-48-74)70-49-52-81(53-50-70)121-97-40-15-10-35-85(97)91-63-83(54-57-101(91)121)124-100-43-18-13-38-88(100)94-68-108-96(66-104(94)124)90-56-51-78(62-106(90)126-108)76-30-21-33-80(60-76)114-119-111(73-27-8-3-9-28-73)118-113(120-114)79-32-20-29-75(59-79)77-31-22-34-82(61-77)122-98-41-16-11-36-86(98)92-64-84(55-58-102(92)122)123-99-42-17-12-37-87(99)93-67-107-95(65-103(93)123)89-39-14-19-44-105(89)125-107/h1-68H
InChIKeyUOSSKWVTHYDFJP-UHFFFAOYSA-N
XLogP29.25
TPSA123.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.87
LogP ≤ 529.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163946850
11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 134168976

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole (CID 129190405) is 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc9oc%10cc(-c%11cccc(-c%12nc(-c%13ccccc%13)nc(-c%13cccc(-c%14cccc(-n%15c%16ccccc%16c%16cc(-n%17c%18ccccc%18c%18cc%19oc%20ccccc%20c%19cc%18%17)ccc%16%15)c%14)c%13)n%12)c%11)ccc%10c9cc87)ccc65)cc4)cc3)n2)cc1.
What is the InChIKey of 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is UOSSKWVTHYDFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N10O2/c1-4-23-71(24-5-1)109-115-110(72-25-6-2-7-26-72)117-112(116-109)74-47-45-69(46-48-74)70-49-52-81(53-50-70)121-97-40-15-10-35-85(97)91-63-83(54-57-101(91)121)124-100-43-18-13-38-88(100)94-68-108-96(66-104(94)124)90-56-51-78(62-106(90)126-108)76-30-21-33-80(60-76)114-119-111(73-27-8-3-9-28-73)118-113(120-114)79-32-20-29-75(59-79)77-31-22-34-82(61-77)122-98-41-16-11-36-86(98)92-64-84(55-58-102(92)122)123-99-42-17-12-37-87(99)93-67-107-95(65-103(93)123)89-39-14-19-44-105(89)125-107/h1-68H.
What are the key properties of 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole?
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 1609.87 g/mol, XLogP of 29.25, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 129190405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).