1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole

C82H48N8 — CID 175810993

IUPAC1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole
SMILESc1ccc(C2=C(c3ccccc3)N(c3c4c(cc(-c5ccccc5)c3-c3ccc5ccccc5n3)N=c3ccc5c(c3-4)N=c3ccccc3=5)NN=C2c2c3c(cc(-c4ccccc4)c2-c2cccc4ccccc24)N=c2ccc4c(c2-3)N=c2ccccc2=4)cc1
InChIInChI=1S/C82H48N8/c1-5-22-49(23-6-1)60-46-68-73(74-66(84-68)44-41-58-55-34-16-19-38-63(55)86-78(58)74)77(71(60)57-36-21-32-48-26-13-15-33-54(48)57)80-70(52-28-9-3-10-29-52)81(53-30-11-4-12-31-53)90(89-88-80)82-72(65-43-40-51-27-14-18-37-62(51)83-65)61(50-24-7-2-8-25-50)47-69-76(82)75-67(85-69)45-42-59-56-35-17-20-39-64(56)87-79(59)75/h1-47,89H
InChIKeyCQOGQUIXWRKQQB-UHFFFAOYSA-N
MW1145.34 g/mol
LogP17.32
Rot. Bonds8

About 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole

1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole (PubChem CID 175810993) has the molecular formula C82H48N8 and a molecular weight of 1145.34 g/mol. Its IUPAC name is 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole
PubChem CID175810993
Molecular FormulaC82H48N8
Molecular Weight1145.34 g/mol
Exact Mass1144.40
IUPAC Name1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole
SMILESc1ccc(C2=C(c3ccccc3)N(c3c4c(cc(-c5ccccc5)c3-c3ccc5ccccc5n3)N=c3ccc5c(c3-4)N=c3ccccc3=5)NN=C2c2c3c(cc(-c4ccccc4)c2-c2cccc4ccccc24)N=c2ccc4c(c2-3)N=c2ccccc2=4)cc1
InChIInChI=1S/C82H48N8/c1-5-22-49(23-6-1)60-46-68-73(74-66(84-68)44-41-58-55-34-16-19-38-63(55)86-78(58)74)77(71(60)57-36-21-32-48-26-13-15-33-54(48)57)80-70(52-28-9-3-10-29-52)81(53-30-11-4-12-31-53)90(89-88-80)82-72(65-43-40-51-27-14-18-37-62(51)83-65)61(50-24-7-2-8-25-50)47-69-76(82)75-67(85-69)45-42-59-56-35-17-20-39-64(56)87-79(59)75/h1-47,89H
InChIKeyCQOGQUIXWRKQQB-UHFFFAOYSA-N
XLogP17.32
TPSA89.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.34
LogP ≤ 517.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole?
The IUPAC name of 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole (CID 175810993) is 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole is c1ccc(C2=C(c3ccccc3)N(c3c4c(cc(-c5ccccc5)c3-c3ccc5ccccc5n3)N=c3ccc5c(c3-4)N=c3ccccc3=5)NN=C2c2c3c(cc(-c4ccccc4)c2-c2cccc4ccccc24)N=c2ccc4c(c2-3)N=c2ccccc2=4)cc1.
What is the InChIKey of 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole?
The InChIKey is CQOGQUIXWRKQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N8/c1-5-22-49(23-6-1)60-46-68-73(74-66(84-68)44-41-58-55-34-16-19-38-63(55)86-78(58)74)77(71(60)57-36-21-32-48-26-13-15-33-54(48)57)80-70(52-28-9-3-10-29-52)81(53-30-11-4-12-31-53)90(89-88-80)82-72(65-43-40-51-27-14-18-37-62(51)83-65)61(50-24-7-2-8-25-50)47-69-76(82)75-67(85-69)45-42-59-56-35-17-20-39-64(56)87-79(59)75/h1-47,89H.
What are the key properties of 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole?
1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole has a molecular weight of 1145.34 g/mol, XLogP of 17.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-diphenyl-1-(3-phenyl-2-quinolin-2-ylindolo[3,2-c]carbazol-1-yl)-2H-triazin-4-yl]-2-naphthalen-1-yl-3-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 175810993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).