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

C57H35N5O — CID 165165502

IUPAC12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6c54)cc3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-3-14-36(15-4-1)39-18-13-19-40(34-39)37-26-29-42(30-27-37)61-49-23-10-7-20-43(49)47-32-33-48-44-21-8-11-24-50(44)62(54(48)53(47)61)57-59-55(38-16-5-2-6-17-38)58-56(60-57)41-28-31-46-45-22-9-12-25-51(45)63-52(46)35-41/h1-35H
InChIKeyHCTAMDDHTMXSAI-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

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

12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 165165502) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
PubChem CID165165502
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6c54)cc3)c2)cc1
InChIInChI=1S/C57H35N5O/c1-3-14-36(15-4-1)39-18-13-19-40(34-39)37-26-29-42(30-27-37)61-49-23-10-7-20-43(49)47-32-33-48-44-21-8-11-24-50(44)62(54(48)53(47)61)57-59-55(38-16-5-2-6-17-38)58-56(60-57)41-28-31-46-45-22-9-12-25-51(45)63-52(46)35-41/h1-35H
InChIKeyHCTAMDDHTMXSAI-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

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
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758383
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758335
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 134168976
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
11-(4-phenylphenyl)-12-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-(4-phenylphenyl)-12-[4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164957984
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 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) is 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6c54)cc3)c2)cc1.
What is the InChIKey of 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is HCTAMDDHTMXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-3-14-36(15-4-1)39-18-13-19-40(34-39)37-26-29-42(30-27-37)61-49-23-10-7-20-43(49)47-32-33-48-44-21-8-11-24-50(44)62(54(48)53(47)61)57-59-55(38-16-5-2-6-17-38)58-56(60-57)41-28-31-46-45-22-9-12-25-51(45)63-52(46)35-41/h1-35H.
What are the key properties of 12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole?
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]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-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165165502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).