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

C57H37N5 — CID 170255301

IUPAC5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1
InChIInChI=1S/C57H37N5/c1-6-21-38(22-7-1)42-29-20-30-43(37-42)56-58-55(41-27-12-4-13-28-41)59-57(60-56)62-48-36-19-17-34-46(48)52-50(40-25-10-3-11-26-40)49(39-23-8-2-9-24-39)51-45-33-16-18-35-47(45)61(53(51)54(52)62)44-31-14-5-15-32-44/h1-37H
InChIKeyKBYVEDOUYOFJDB-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

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

5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 170255301) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID170255301
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1
InChIInChI=1S/C57H37N5/c1-6-21-38(22-7-1)42-29-20-30-43(37-42)56-58-55(41-27-12-4-13-28-41)59-57(60-56)62-48-36-19-17-34-46(48)52-50(40-25-10-3-11-26-40)49(39-23-8-2-9-24-39)51-45-33-16-18-35-47(45)61(53(51)54(52)62)44-31-14-5-15-32-44/h1-37H
InChIKeyKBYVEDOUYOFJDB-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729290
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
6-carbazol-9-yl-5-phenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168729529
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160744147
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027

Frequently Asked Questions

What is the IUPAC name of 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 170255301) is 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)c(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1.
What is the InChIKey of 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is KBYVEDOUYOFJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-6-21-38(22-7-1)42-29-20-30-43(37-42)56-58-55(41-27-12-4-13-28-41)59-57(60-56)62-48-36-19-17-34-46(48)52-50(40-25-10-3-11-26-40)49(39-23-8-2-9-24-39)51-45-33-16-18-35-47(45)61(53(51)54(52)62)44-31-14-5-15-32-44/h1-37H.
What are the key properties of 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170255301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).