5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole

C82H49N7O3 — CID 130359180

IUPAC5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole
SMILESCc1cc(Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C82H49N7O3/c1-47-36-49(39-53(37-47)52-25-32-72-74(43-52)89-70-18-8-6-16-66(70)84-82(89)87(72)56-28-35-80-64(46-56)59-14-4-11-21-77(59)92-80)38-48-22-29-67-60(40-48)61-41-50(23-30-68(61)85(67)54-26-33-78-62(44-54)57-12-2-9-19-75(57)90-78)51-24-31-71-73(42-51)88-69-17-7-5-15-65(69)83-81(88)86(71)55-27-34-79-63(45-55)58-13-3-10-20-76(58)91-79/h2-37,39-46H,38H2,1H3
InChIKeyWBXYVPABQYWEGQ-UHFFFAOYSA-N
MW1180.34 g/mol
LogP21.20
Rot. Bonds7

About 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole

5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 130359180) has the molecular formula C82H49N7O3 and a molecular weight of 1180.34 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID130359180
Molecular FormulaC82H49N7O3
Molecular Weight1180.34 g/mol
Exact Mass1179.39
IUPAC Name5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole
SMILESCc1cc(Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C82H49N7O3/c1-47-36-49(39-53(37-47)52-25-32-72-74(43-52)89-70-18-8-6-16-66(70)84-82(89)87(72)56-28-35-80-64(46-56)59-14-4-11-21-77(59)92-80)38-48-22-29-67-60(40-48)61-41-50(23-30-68(61)85(67)54-26-33-78-62(44-54)57-12-2-9-19-75(57)90-78)51-24-31-71-73(42-51)88-69-17-7-5-15-65(69)83-81(88)86(71)55-27-34-79-63(45-55)58-13-3-10-20-76(58)91-79/h2-37,39-46H,38H2,1H3
InChIKeyWBXYVPABQYWEGQ-UHFFFAOYSA-N
XLogP21.20
TPSA88.81 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.34
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole (CID 130359180) is 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole is Cc1cc(Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4ccc5oc6ccccc6c5c4)ccc2n3-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is WBXYVPABQYWEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H49N7O3/c1-47-36-49(39-53(37-47)52-25-32-72-74(43-52)89-70-18-8-6-16-66(70)84-82(89)87(72)56-28-35-80-64(46-56)59-14-4-11-21-77(59)92-80)38-48-22-29-67-60(40-48)61-41-50(23-30-68(61)85(67)54-26-33-78-62(44-54)57-12-2-9-19-75(57)90-78)51-24-31-71-73(42-51)88-69-17-7-5-15-65(69)83-81(88)86(71)55-27-34-79-63(45-55)58-13-3-10-20-76(58)91-79/h2-37,39-46H,38H2,1H3.
What are the key properties of 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole?
5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1180.34 g/mol, XLogP of 21.20, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-2-[3-[[9-dibenzofuran-2-yl-6-(5-dibenzofuran-2-ylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]methyl]-5-methylphenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 130359180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).