9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole

C94H56N4O4 — CID 167587667

IUPAC9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)cc3c3c4ccccc4oc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C50H30N2O2.C44H26N2O2/c1-2-10-35(11-3-1)52-45-25-20-33(30-42(45)49-39-14-6-9-17-46(39)54-50(49)52)34-22-27-48-41(29-34)40-28-32(21-26-47(40)53-48)31-18-23-36(24-19-31)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51;1-2-10-29(11-3-1)46-39-21-18-27(25-36(39)43-33-14-6-9-17-40(33)48-44(43)46)28-19-22-41-34(24-28)35-26-30(20-23-42(35)47-41)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-30H;1-26H
InChIKeyHZWVODONLJYGDN-UHFFFAOYSA-N
MW1305.51 g/mol
LogP26.05
Rot. Bonds7

About 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole

9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 167587667) has the molecular formula C94H56N4O4 and a molecular weight of 1305.51 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID167587667
Molecular FormulaC94H56N4O4
Molecular Weight1305.51 g/mol
Exact Mass1304.43
IUPAC Name9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)cc3c3c4ccccc4oc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc3c3c4ccccc4oc32)cc1
InChIInChI=1S/C50H30N2O2.C44H26N2O2/c1-2-10-35(11-3-1)52-45-25-20-33(30-42(45)49-39-14-6-9-17-46(39)54-50(49)52)34-22-27-48-41(29-34)40-28-32(21-26-47(40)53-48)31-18-23-36(24-19-31)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51;1-2-10-29(11-3-1)46-39-21-18-27(25-36(39)43-33-14-6-9-17-40(33)48-44(43)46)28-19-22-41-34(24-28)35-26-30(20-23-42(35)47-41)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-30H;1-26H
InChIKeyHZWVODONLJYGDN-UHFFFAOYSA-N
XLogP26.05
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms102
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.51
LogP ≤ 526.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 167587667) is 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccc(-c4ccc5oc6ccc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cc6c5c4)cc3c3c4ccccc4oc32)cc1.c1ccc(-n2c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc3c3c4ccccc4oc32)cc1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is HZWVODONLJYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2.C44H26N2O2/c1-2-10-35(11-3-1)52-45-25-20-33(30-42(45)49-39-14-6-9-17-46(39)54-50(49)52)34-22-27-48-41(29-34)40-28-32(21-26-47(40)53-48)31-18-23-36(24-19-31)51-43-15-7-4-12-37(43)38-13-5-8-16-44(38)51;1-2-10-29(11-3-1)46-39-21-18-27(25-36(39)43-33-14-6-9-17-40(33)48-44(43)46)28-19-22-41-34(24-28)35-26-30(20-23-42(35)47-41)45-37-15-7-4-12-31(37)32-13-5-8-16-38(32)45/h1-30H;1-26H.
What are the key properties of 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole?
9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 1305.51 g/mol, XLogP of 26.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;9-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 167587667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).