11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole

C49H31N3O — CID 59147243

IUPAC11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31N3O/c1-2-12-31(13-3-1)30-50-42-18-8-4-16-36(42)39-29-47-40(28-46(39)50)38-26-32(51-43-19-9-5-14-34(43)35-15-6-10-20-44(35)51)22-24-45(38)52(47)33-23-25-49-41(27-33)37-17-7-11-21-48(37)53-49/h1-29H,30H2
InChIKeyFRXHNXOFRSZFTD-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.94
Rot. Bonds4

About 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole

11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole (PubChem CID 59147243) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole
PubChem CID59147243
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole
SMILESc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31N3O/c1-2-12-31(13-3-1)30-50-42-18-8-4-16-36(42)39-29-47-40(28-46(39)50)38-26-32(51-43-19-9-5-14-34(43)35-15-6-10-20-44(35)51)22-24-45(38)52(47)33-23-25-49-41(27-33)37-17-7-11-21-48(37)53-49/h1-29H,30H2
InChIKeyFRXHNXOFRSZFTD-UHFFFAOYSA-N
XLogP12.94
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole?
The IUPAC name of 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole (CID 59147243) is 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole?
The canonical SMILES for 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole is c1ccc(Cn2c3ccccc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole?
The InChIKey is FRXHNXOFRSZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-12-31(13-3-1)30-50-42-18-8-4-16-36(42)39-29-47-40(28-46(39)50)38-26-32(51-43-19-9-5-14-34(43)35-15-6-10-20-44(35)51)22-24-45(38)52(47)33-23-25-49-41(27-33)37-17-7-11-21-48(37)53-49/h1-29H,30H2.
What are the key properties of 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole?
11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole has a molecular weight of 677.81 g/mol, XLogP of 12.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-2-carbazol-9-yl-5-dibenzofuran-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 59147243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).