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

C51H31N5O — CID 146641949

IUPAC11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N5O/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)55-43-20-10-7-17-37(43)41-31-46-42(30-45(41)55)38-18-8-11-21-44(38)56(46)51-53-49(34-15-5-2-6-16-34)52-50(54-51)35-25-28-40-39-19-9-12-22-47(39)57-48(40)29-35/h1-31H
InChIKeyOONCVUVTVNIJKR-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

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

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 146641949) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
PubChem CID146641949
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H31N5O/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)55-43-20-10-7-17-37(43)41-31-46-42(30-45(41)55)38-18-8-11-21-44(38)56(46)51-53-49(34-15-5-2-6-16-34)52-50(54-51)35-25-28-40-39-19-9-12-22-47(39)57-48(40)29-35/h1-31H
InChIKeyOONCVUVTVNIJKR-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
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
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 169014221

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole (CID 146641949) is 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
The InChIKey is OONCVUVTVNIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)55-43-20-10-7-17-37(43)41-31-46-42(30-45(41)55)38-18-8-11-21-44(38)56(46)51-53-49(34-15-5-2-6-16-34)52-50(54-51)35-25-28-40-39-19-9-12-22-47(39)57-48(40)29-35/h1-31H.
What are the key properties of 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 146641949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).