11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole

C57H37N5 — CID 170255532

IUPAC11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6c(c(-c7ccccc7)c54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H37N5/c1-5-17-38(18-6-1)40-29-33-43(34-30-40)55-58-56(44-35-31-41(32-36-44)39-19-7-2-8-20-39)60-57(59-55)62-49-27-15-13-25-46(49)48-37-51-53(52(54(48)62)42-21-9-3-10-22-42)47-26-14-16-28-50(47)61(51)45-23-11-4-12-24-45/h1-37H
InChIKeyBOHKLQPPDOMGAC-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

About 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole

11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole (PubChem CID 170255532) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
PubChem CID170255532
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6c(c(-c7ccccc7)c54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H37N5/c1-5-17-38(18-6-1)40-29-33-43(34-30-40)55-58-56(44-35-31-41(32-36-44)39-19-7-2-8-20-39)60-57(59-55)62-49-27-15-13-25-46(49)48-37-51-53(52(54(48)62)42-21-9-3-10-22-42)47-26-14-16-28-50(47)61(51)45-23-11-4-12-24-45/h1-37H
InChIKeyBOHKLQPPDOMGAC-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

11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499
12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168729598
5,12-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727741
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
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
5-bromo-11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255683
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-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 170255512
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
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379

Frequently Asked Questions

What is the IUPAC name of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole (CID 170255532) is 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6c(c(-c7ccccc7)c54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole?
The InChIKey is BOHKLQPPDOMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-17-38(18-6-1)40-29-33-43(34-30-40)55-58-56(44-35-31-41(32-36-44)39-19-7-2-8-20-39)60-57(59-55)62-49-27-15-13-25-46(49)48-37-51-53(52(54(48)62)42-21-9-3-10-22-42)47-26-14-16-28-50(47)61(51)45-23-11-4-12-24-45/h1-37H.
What are the key properties of 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole?
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]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 11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 170255532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).