11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole

C47H28N4O — CID 118595447

IUPAC11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-n7c8ccccc8c8cnccc87)c6c54)cc3)cccc12
InChIInChI=1S/C47H28N4O/c1-5-16-40-32(10-1)36-24-25-37-33-11-2-7-18-42(33)51(50-41-17-6-3-12-34(41)39-28-48-27-26-43(39)50)46(37)45(36)49(40)30-22-20-29(21-23-30)31-14-9-15-38-35-13-4-8-19-44(35)52-47(31)38/h1-28H
InChIKeySIOAKAVGLYAILS-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.27
Rot. Bonds3

About 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole

11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole (PubChem CID 118595447) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole
PubChem CID118595447
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-n7c8ccccc8c8cnccc87)c6c54)cc3)cccc12
InChIInChI=1S/C47H28N4O/c1-5-16-40-32(10-1)36-24-25-37-33-11-2-7-18-42(33)51(50-41-17-6-3-12-34(41)39-28-48-27-26-43(39)50)46(37)45(36)49(40)30-22-20-29(21-23-30)31-14-9-15-38-35-13-4-8-19-44(35)52-47(31)38/h1-28H
InChIKeySIOAKAVGLYAILS-UHFFFAOYSA-N
XLogP12.27
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole?
The IUPAC name of 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole (CID 118595447) is 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole is c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-n7c8ccccc8c8cnccc87)c6c54)cc3)cccc12.
What is the InChIKey of 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole?
The InChIKey is SIOAKAVGLYAILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-5-16-40-32(10-1)36-24-25-37-33-11-2-7-18-42(33)51(50-41-17-6-3-12-34(41)39-28-48-27-26-43(39)50)46(37)45(36)49(40)30-22-20-29(21-23-30)31-14-9-15-38-35-13-4-8-19-44(35)52-47(31)38/h1-28H.
What are the key properties of 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole?
11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole has a molecular weight of 664.77 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-4-ylphenyl)-12-pyrido[4,3-b]indol-5-ylindolo[2,3-a]carbazole is sourced from PubChem (CID 118595447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).