3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole

C63H38N6O — CID 168729255

IUPAC3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5c43)cc2)cc1
InChIInChI=1S/C63H38N6O/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)68-56-36-32-44(67-53-23-11-7-19-45(53)46-20-8-12-24-54(46)67)38-52(56)51-35-34-50-47-21-9-13-25-55(47)69(60(50)59(51)68)63-65-61(41-17-5-2-6-18-41)64-62(66-63)42-29-33-49-48-22-10-14-26-57(48)70-58(49)37-42/h1-38H
InChIKeyUANHWEOBGUHCOE-UHFFFAOYSA-N
MW895.04 g/mol
LogP16.06
Rot. Bonds6

About 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole

3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 168729255) has the molecular formula C63H38N6O and a molecular weight of 895.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID168729255
Molecular FormulaC63H38N6O
Molecular Weight895.04 g/mol
Exact Mass894.31
IUPAC Name3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5c43)cc2)cc1
InChIInChI=1S/C63H38N6O/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)68-56-36-32-44(67-53-23-11-7-19-45(53)46-20-8-12-24-54(46)67)38-52(56)51-35-34-50-47-21-9-13-25-55(47)69(60(50)59(51)68)63-65-61(41-17-5-2-6-18-41)64-62(66-63)42-29-33-49-48-22-10-14-26-57(48)70-58(49)37-42/h1-38H
InChIKeyUANHWEOBGUHCOE-UHFFFAOYSA-N
XLogP16.06
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.04
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165502
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949
11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965374
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 162005226

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 168729255) is 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5c43)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is UANHWEOBGUHCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N6O/c1-3-15-39(16-4-1)40-27-30-43(31-28-40)68-56-36-32-44(67-53-23-11-7-19-45(53)46-20-8-12-24-54(46)67)38-52(56)51-35-34-50-47-21-9-13-25-55(47)69(60(50)59(51)68)63-65-61(41-17-5-2-6-18-41)64-62(66-63)42-29-33-49-48-22-10-14-26-57(48)70-58(49)37-42/h1-38H.
What are the key properties of 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole?
3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 895.04 g/mol, XLogP of 16.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 168729255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).