1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole

C68H39N9O2 — CID 91138482

IUPAC1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole
SMILESc1ccc(-c2c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c3[nH]c3ccccc34)c(-c3oc4ccccc4c3-c3[nH]c(-c4nc(-c5cnc6ccccc6n5)c5ccccc5n4)c4ccccc34)c3nc[nH]c23)nc1
InChIInChI=1S/C68H39N9O2/c1-2-19-40-39(18-1)63(76-64(40)68-75-47-27-8-4-20-41(47)62(77-68)51-35-70-48-28-9-10-29-49(48)73-51)58-43-22-6-12-32-53(43)79-67(58)60-57(45-25-15-23-38-37-17-3-7-26-46(37)74-61(38)45)56(59(50-30-13-14-34-69-50)65-66(60)72-36-71-65)44-24-16-33-54-55(44)42-21-5-11-31-52(42)78-54/h1-36,74,76H,(H,71,72)
InChIKeyJRZVNKGKHHZFLK-UHFFFAOYSA-N
MW1014.12 g/mol
LogP17.27
Rot. Bonds7

About 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole

1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole (PubChem CID 91138482) has the molecular formula C68H39N9O2 and a molecular weight of 1014.12 g/mol. Its IUPAC name is 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole
PubChem CID91138482
Molecular FormulaC68H39N9O2
Molecular Weight1014.12 g/mol
Exact Mass1013.32
IUPAC Name1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole
SMILESc1ccc(-c2c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c3[nH]c3ccccc34)c(-c3oc4ccccc4c3-c3[nH]c(-c4nc(-c5cnc6ccccc6n5)c5ccccc5n4)c4ccccc34)c3nc[nH]c23)nc1
InChIInChI=1S/C68H39N9O2/c1-2-19-40-39(18-1)63(76-64(40)68-75-47-27-8-4-20-41(47)62(77-68)51-35-70-48-28-9-10-29-49(48)73-51)58-43-22-6-12-32-53(43)79-67(58)60-57(45-25-15-23-38-37-17-3-7-26-46(37)74-61(38)45)56(59(50-30-13-14-34-69-50)65-66(60)72-36-71-65)44-24-16-33-54-55(44)42-21-5-11-31-52(42)78-54/h1-36,74,76H,(H,71,72)
InChIKeyJRZVNKGKHHZFLK-UHFFFAOYSA-N
XLogP17.27
TPSA150.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.12
LogP ≤ 517.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole with MolForge

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Related Compounds

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CID 156671443
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Frequently Asked Questions

What is the IUPAC name of 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole?
The IUPAC name of 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole (CID 91138482) is 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole.
What is the SMILES notation for 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole?
The canonical SMILES for 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole is c1ccc(-c2c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c3[nH]c3ccccc34)c(-c3oc4ccccc4c3-c3[nH]c(-c4nc(-c5cnc6ccccc6n5)c5ccccc5n4)c4ccccc34)c3nc[nH]c23)nc1.
What is the InChIKey of 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole?
The InChIKey is JRZVNKGKHHZFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H39N9O2/c1-2-19-40-39(18-1)63(76-64(40)68-75-47-27-8-4-20-41(47)62(77-68)51-35-70-48-28-9-10-29-49(48)73-51)58-43-22-6-12-32-53(43)79-67(58)60-57(45-25-15-23-38-37-17-3-7-26-46(37)74-61(38)45)56(59(50-30-13-14-34-69-50)65-66(60)72-36-71-65)44-24-16-33-54-55(44)42-21-5-11-31-52(42)78-54/h1-36,74,76H,(H,71,72).
What are the key properties of 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole?
1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole has a molecular weight of 1014.12 g/mol, XLogP of 17.27, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-dibenzofuran-1-yl-7-pyridin-2-yl-4-[3-[3-(4-quinoxalin-2-ylquinazolin-2-yl)-2H-isoindol-1-yl]-1-benzofuran-2-yl]-1H-benzimidazol-5-yl]-9H-carbazole is sourced from PubChem (CID 91138482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).