5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole

C51H31N5O — CID 170255504

IUPAC5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c(-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-16-32(17-5-1)46-47-37-23-10-13-25-40(37)55(35-20-8-3-9-21-35)42(47)31-43-48(46)38-24-11-14-26-41(38)56(43)51-53-49(33-18-6-2-7-19-33)52-50(54-51)34-28-29-45-39(30-34)36-22-12-15-27-44(36)57-45/h1-31H
InChIKeyKKRLPQVSTLLEAV-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

About 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole

5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole (PubChem CID 170255504) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole
PubChem CID170255504
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c(-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-16-32(17-5-1)46-47-37-23-10-13-25-40(37)55(35-20-8-3-9-21-35)42(47)31-43-48(46)38-24-11-14-26-41(38)56(43)51-53-49(33-18-6-2-7-19-33)52-50(54-51)34-28-29-45-39(30-34)36-22-12-15-27-44(36)57-45/h1-31H
InChIKeyKKRLPQVSTLLEAV-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

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542537
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole (CID 170255504) is 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c(-c5ccccc5)c5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.
What is the InChIKey of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole?
The InChIKey is KKRLPQVSTLLEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-16-32(17-5-1)46-47-37-23-10-13-25-40(37)55(35-20-8-3-9-21-35)42(47)31-43-48(46)38-24-11-14-26-41(38)56(43)51-53-49(33-18-6-2-7-19-33)52-50(54-51)34-28-29-45-39(30-34)36-22-12-15-27-44(36)57-45/h1-31H.
What are the key properties of 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole?
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-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 5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7,12-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 170255504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).