5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole

C57H35N5O — CID 166495904

IUPAC5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-31-32-49(62-48-28-16-14-26-43(48)46-34-45-42-25-13-15-27-47(42)61(50(45)35-51(46)62)40-23-11-4-12-24-40)54-53(41)44-30-29-39(33-52(44)63-54)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyNIZWJMFSUNCSDE-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 166495904) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID166495904
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-31-32-49(62-48-28-16-14-26-43(48)46-34-45-42-25-13-15-27-47(42)61(50(45)35-51(46)62)40-23-11-4-12-24-40)54-53(41)44-30-29-39(33-52(44)63-54)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyNIZWJMFSUNCSDE-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-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166496041
9-[1-dibenzofuran-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166496108
7-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 155158730
2-dibenzofuran-2-yl-7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[2,3-b]carbazole
CID 155158827
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
CID 163749487
5-carbazol-9-yl-14-phenyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155158629
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole (CID 166495904) is 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is NIZWJMFSUNCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-5-17-36(18-6-1)41-31-32-49(62-48-28-16-14-26-43(48)46-34-45-42-25-13-15-27-47(42)61(50(45)35-51(46)62)40-23-11-4-12-24-40)54-53(41)44-30-29-39(33-52(44)63-54)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H.
What are the key properties of 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole?
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]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 5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 166495904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).