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

C57H35N5O — CID 164758383

IUPAC11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cccc(-c9ccccc9)c78)n6)c5c43)cc2)cc1
InChIInChI=1S/C57H35N5O/c1-4-15-36(16-5-1)37-27-30-41(31-28-37)61-48-24-12-10-21-43(48)45-33-34-46-44-22-11-13-25-49(44)62(54(46)53(45)61)57-59-55(39-19-8-3-9-20-39)58-56(60-57)40-29-32-47-51(35-40)63-50-26-14-23-42(52(47)50)38-17-6-2-7-18-38/h1-35H
InChIKeyQPSQARDGBIZQCL-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

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

11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 164758383) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID164758383
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cccc(-c9ccccc9)c78)n6)c5c43)cc2)cc1
InChIInChI=1S/C57H35N5O/c1-4-15-36(16-5-1)37-27-30-41(31-28-37)61-48-24-12-10-21-43(48)45-33-34-46-44-22-11-13-25-49(44)62(54(46)53(45)61)57-59-55(39-19-8-3-9-20-39)58-56(60-57)40-29-32-47-51(35-40)63-50-26-14-23-42(52(47)50)38-17-6-2-7-18-38/h1-35H
InChIKeyQPSQARDGBIZQCL-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

11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758341
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
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758335
1-(1,7-diphenyldibenzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309658
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
11-(3-phenylphenyl)-12-[4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758260
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362624
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
9-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]carbazole
CID 158629566
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092

Frequently Asked Questions

What is the IUPAC name of 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 164758383) is 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cccc(-c9ccccc9)c78)n6)c5c43)cc2)cc1.
What is the InChIKey of 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is QPSQARDGBIZQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-15-36(16-5-1)37-27-30-41(31-28-37)61-48-24-12-10-21-43(48)45-33-34-46-44-22-11-13-25-49(44)62(54(46)53(45)61)57-59-55(39-19-8-3-9-20-39)58-56(60-57)40-29-32-47-51(35-40)63-50-26-14-23-42(52(47)50)38-17-6-2-7-18-38/h1-35H.
What are the key properties of 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]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 11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164758383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).