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

C69H44N6 — CID 168729444

IUPAC3-carbazol-9-yl-11-(2-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(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c65)n4)cc3)c2)cc1
InChIInChI=1S/C69H44N6/c1-4-19-45(20-5-1)50-25-18-26-51(43-50)46-35-37-49(38-36-46)68-70-67(48-23-8-3-9-24-48)71-69(72-68)75-64-42-39-52(73-61-32-15-11-28-54(61)55-29-12-16-33-62(55)73)44-59(64)58-41-40-57-56-30-13-17-34-63(56)74(65(57)66(58)75)60-31-14-10-27-53(60)47-21-6-2-7-22-47/h1-44H
InChIKeyIYNGFOGSWWLLTC-UHFFFAOYSA-N
MW957.15 g/mol
LogP17.50
Rot. Bonds8

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

3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168729444) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID168729444
Molecular FormulaC69H44N6
Molecular Weight957.15 g/mol
Exact Mass956.36
IUPAC Name3-carbazol-9-yl-11-(2-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(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c65)n4)cc3)c2)cc1
InChIInChI=1S/C69H44N6/c1-4-19-45(20-5-1)50-25-18-26-51(43-50)46-35-37-49(38-36-46)68-70-67(48-23-8-3-9-24-48)71-69(72-68)75-64-42-39-52(73-61-32-15-11-28-54(61)55-29-12-16-33-62(55)73)44-59(64)58-41-40-57-56-30-13-17-34-63(56)74(65(57)66(58)75)60-31-14-10-27-53(60)47-21-6-2-7-22-47/h1-44H
InChIKeyIYNGFOGSWWLLTC-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

12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729227
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 165057639
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[3-(3-phenylphenyl)phenyl]phenyl]-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 175616615
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
CID 168729461

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168729444) is 3-carbazol-9-yl-11-(2-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 3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 3-carbazol-9-yl-11-(2-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(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c65)n4)cc3)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is IYNGFOGSWWLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-4-19-45(20-5-1)50-25-18-26-51(43-50)46-35-37-49(38-36-46)68-70-67(48-23-8-3-9-24-48)71-69(72-68)75-64-42-39-52(73-61-32-15-11-28-54(61)55-29-12-16-33-62(55)73)44-59(64)58-41-40-57-56-30-13-17-34-63(56)74(65(57)66(58)75)60-31-14-10-27-53(60)47-21-6-2-7-22-47/h1-44H.
What are the key properties of 3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
3-carbazol-9-yl-11-(2-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 3-carbazol-9-yl-11-(2-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 168729444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).