5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole

C57H38N6 — CID 146849821

IUPAC5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole
SMILESC1=Cc2c(c3c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)cccc3n2-c2ccccc2)CC1
InChIInChI=1S/C57H38N6/c1-4-19-37(20-5-1)55-58-56(38-21-6-2-7-22-38)60-57(59-55)44-28-13-17-32-48(44)62-47-31-16-12-27-43(47)53-51(62)36-35-41-40-25-10-14-29-45(40)63(54(41)53)50-34-18-33-49-52(50)42-26-11-15-30-46(42)61(49)39-23-8-3-9-24-39/h1-10,12-25,27-36H,11,26H2
InChIKeySIIXWGYBTQKGAG-UHFFFAOYSA-N
MW806.97 g/mol
LogP13.97
Rot. Bonds6

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole (PubChem CID 146849821) has the molecular formula C57H38N6 and a molecular weight of 806.97 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole
PubChem CID146849821
Molecular FormulaC57H38N6
Molecular Weight806.97 g/mol
Exact Mass806.32
IUPAC Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole
SMILESC1=Cc2c(c3c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)cccc3n2-c2ccccc2)CC1
InChIInChI=1S/C57H38N6/c1-4-19-37(20-5-1)55-58-56(38-21-6-2-7-22-38)60-57(59-55)44-28-13-17-32-48(44)62-47-31-16-12-27-43(47)53-51(62)36-35-41-40-25-10-14-29-45(40)63(54(41)53)50-34-18-33-49-52(50)42-26-11-15-30-46(42)61(49)39-23-8-3-9-24-39/h1-10,12-25,27-36H,11,26H2
InChIKeySIIXWGYBTQKGAG-UHFFFAOYSA-N
XLogP13.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
12-[4-(3,4-dihydrocarbazol-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162363085
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169037460
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169036916
4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 167285061

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole (CID 146849821) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole is C1=Cc2c(c3c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)cccc3n2-c2ccccc2)CC1.
What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole?
The InChIKey is SIIXWGYBTQKGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N6/c1-4-19-37(20-5-1)55-58-56(38-21-6-2-7-22-38)60-57(59-55)44-28-13-17-32-48(44)62-47-31-16-12-27-43(47)53-51(62)36-35-41-40-25-10-14-29-45(40)63(54(41)53)50-34-18-33-49-52(50)42-26-11-15-30-46(42)61(49)39-23-8-3-9-24-39/h1-10,12-25,27-36H,11,26H2.
What are the key properties of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole?
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole has a molecular weight of 806.97 g/mol, XLogP of 13.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 146849821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).