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

C57H35N5O — CID 165165585

IUPAC12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5c43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-4-16-36(17-5-1)39-28-32-50(46(34-39)37-18-6-2-7-19-37)61-48-25-13-10-22-41(48)44-30-31-45-42-23-11-14-26-49(42)62(54(45)53(44)61)57-59-55(38-20-8-3-9-21-38)58-56(60-57)40-29-33-52-47(35-40)43-24-12-15-27-51(43)63-52/h1-35H
InChIKeyZXOHGFMFSCFHAH-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

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

12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole (PubChem CID 165165585) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
PubChem CID165165585
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5c43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-4-16-36(17-5-1)39-28-32-50(46(34-39)37-18-6-2-7-19-37)61-48-25-13-10-22-41(48)44-30-31-45-42-23-11-14-26-49(42)62(54(45)53(44)61)57-59-55(38-20-8-3-9-21-38)58-56(60-57)40-29-33-52-47(35-40)43-24-12-15-27-51(43)63-52/h1-35H
InChIKeyZXOHGFMFSCFHAH-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631
11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 139303243
9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
CID 146414244
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303494
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168835067

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole (CID 165165585) is 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5c43)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is ZXOHGFMFSCFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-16-36(17-5-1)39-28-32-50(46(34-39)37-18-6-2-7-19-37)61-48-25-13-10-22-41(48)44-30-31-45-42-23-11-14-26-49(42)62(54(45)53(44)61)57-59-55(38-20-8-3-9-21-38)58-56(60-57)40-29-33-52-47(35-40)43-24-12-15-27-51(43)63-52/h1-35H.
What are the key properties of 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole?
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 165165585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).