5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C69H44N6 — CID 168729596

IUPAC5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c65)n4)cc3)c2)cc1
InChIInChI=1S/C69H44N6/c1-4-20-45(21-5-1)50-26-18-27-51(42-50)47-38-40-49(41-39-47)68-70-67(48-24-8-3-9-25-48)71-69(72-68)75-62-37-17-13-33-57(62)64-63(74-60-35-15-10-30-54(60)55-31-11-16-36-61(55)74)44-58-56-32-12-14-34-59(56)73(65(58)66(64)75)53-29-19-28-52(43-53)46-22-6-2-7-23-46/h1-44H
InChIKeyXXUSGZAEBDIHIU-UHFFFAOYSA-N
MW957.15 g/mol
LogP17.50
Rot. Bonds8

About 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168729596) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID168729596
Molecular FormulaC69H44N6
Molecular Weight957.15 g/mol
Exact Mass956.36
IUPAC Name5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c65)n4)cc3)c2)cc1
InChIInChI=1S/C69H44N6/c1-4-20-45(21-5-1)50-26-18-27-51(42-50)47-38-40-49(41-39-47)68-70-67(48-24-8-3-9-25-48)71-69(72-68)75-62-37-17-13-33-57(62)64-63(74-60-35-15-10-30-54(60)55-31-11-16-36-61(55)74)44-58-56-32-12-14-34-59(56)73(65(58)66(64)75)53-29-19-28-52(43-53)46-22-6-2-7-23-46/h1-44H
InChIKeyXXUSGZAEBDIHIU-UHFFFAOYSA-N
XLogP17.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.15
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729219
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-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 168729171
11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167203855
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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
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
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037526
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255337

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168729596) is 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c65)n4)cc3)c2)cc1.
What is the InChIKey of 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is XXUSGZAEBDIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-4-20-45(21-5-1)50-26-18-27-51(42-50)47-38-40-49(41-39-47)68-70-67(48-24-8-3-9-25-48)71-69(72-68)75-62-37-17-13-33-57(62)64-63(74-60-35-15-10-30-54(60)55-31-11-16-36-61(55)74)44-58-56-32-12-14-34-59(56)73(65(58)66(64)75)53-29-19-28-52(43-53)46-22-6-2-7-23-46/h1-44H.
What are the key properties of 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 957.15 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168729596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).