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

C56H36N6 — CID 156554520

IUPAC5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N6/c1-5-18-37(19-6-1)48-33-42(34-49(57-48)38-20-7-2-8-21-38)40-24-17-25-41(32-40)55-58-54(39-22-9-3-10-23-39)59-56(60-55)62-51-31-16-14-29-45(51)47-35-46-44-28-13-15-30-50(44)61(52(46)36-53(47)62)43-26-11-4-12-27-43/h1-36H
InChIKeyYUTOAYFAWZQWTQ-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

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

5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 156554520) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID156554520
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N6/c1-5-18-37(19-6-1)48-33-42(34-49(57-48)38-20-7-2-8-21-38)40-24-17-25-41(32-40)55-58-54(39-22-9-3-10-23-39)59-56(60-55)62-51-31-16-14-29-45(51)47-35-46-44-28-13-15-30-50(44)61(52(46)36-53(47)62)43-26-11-4-12-27-43/h1-36H
InChIKeyYUTOAYFAWZQWTQ-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 156556366
7-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164800029
7-(4-phenylphenyl)-5-[4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 156556458
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 156554523
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 134507234
2-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole
CID 159843994
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole;7-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 161291971
3-[9-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157196382
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
11-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 158072989

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole (CID 156554520) is 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is YUTOAYFAWZQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-5-18-37(19-6-1)48-33-42(34-49(57-48)38-20-7-2-8-21-38)40-24-17-25-41(32-40)55-58-54(39-22-9-3-10-23-39)59-56(60-55)62-51-31-16-14-29-45(51)47-35-46-44-28-13-15-30-50(44)61(52(46)36-53(47)62)43-26-11-4-12-27-43/h1-36H.
What are the key properties of 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole?
5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 156554520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).