11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole

C52H28N6O3 — CID 135178443

IUPAC11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc9oc%10ccccc%10c9cc87)cn6)c6nonc56)nc4)c3cc12
InChIInChI=1S/C52H28N6O3/c1-5-13-43-31(9-1)37-25-49-39(33-11-3-7-15-47(33)59-49)23-45(37)57(43)29-17-21-41(53-27-29)35-19-20-36(52-51(35)55-61-56-52)42-22-18-30(28-54-42)58-44-14-6-2-10-32(44)38-26-50-40(24-46(38)58)34-12-4-8-16-48(34)60-50/h1-28H
InChIKeyMIZTXHDODWKTRB-UHFFFAOYSA-N
MW784.84 g/mol
LogP13.34
Rot. Bonds4

About 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole

11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 135178443) has the molecular formula C52H28N6O3 and a molecular weight of 784.84 g/mol. Its IUPAC name is 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID135178443
Molecular FormulaC52H28N6O3
Molecular Weight784.84 g/mol
Exact Mass784.22
IUPAC Name11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc2c(c1)oc1cc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc9oc%10ccccc%10c9cc87)cn6)c6nonc56)nc4)c3cc12
InChIInChI=1S/C52H28N6O3/c1-5-13-43-31(9-1)37-25-49-39(33-11-3-7-15-47(33)59-49)23-45(37)57(43)29-17-21-41(53-27-29)35-19-20-36(52-51(35)55-61-56-52)42-22-18-30(28-54-42)58-44-14-6-2-10-32(44)38-26-50-40(24-46(38)58)34-12-4-8-16-48(34)60-50/h1-28H
InChIKeyMIZTXHDODWKTRB-UHFFFAOYSA-N
XLogP13.34
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.84
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole (CID 135178443) is 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole is c1ccc2c(c1)oc1cc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc9oc%10ccccc%10c9cc87)cn6)c6nonc56)nc4)c3cc12.
What is the InChIKey of 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is MIZTXHDODWKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6O3/c1-5-13-43-31(9-1)37-25-49-39(33-11-3-7-15-47(33)59-49)23-45(37)57(43)29-17-21-41(53-27-29)35-19-20-36(52-51(35)55-61-56-52)42-22-18-30(28-54-42)58-44-14-6-2-10-32(44)38-26-50-40(24-46(38)58)34-12-4-8-16-48(34)60-50/h1-28H.
What are the key properties of 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 784.84 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-[4-[5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-pyridinyl]-2,1,3-benzoxadiazol-7-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 135178443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).