2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole

C45H27N3O — CID 118530381

IUPAC2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole
SMILESc1cc(-n2c3ccccc3c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c4oc4ccccc45)cc32)c2cnccc2c1
InChIInChI=1S/C45H27N3O/c1-5-15-37-30(11-1)31-12-2-6-16-38(31)47(37)41-23-22-35-34-14-4-8-19-43(34)49-45(35)44(41)29-20-21-33-32-13-3-7-17-39(32)48(42(33)26-29)40-18-9-10-28-24-25-46-27-36(28)40/h1-27H
InChIKeyKQAIJLPLDSVVAZ-UHFFFAOYSA-N
MW625.73 g/mol
LogP12.00
Rot. Bonds3

About 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole

2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole (PubChem CID 118530381) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole
PubChem CID118530381
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole
SMILESc1cc(-n2c3ccccc3c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c4oc4ccccc45)cc32)c2cnccc2c1
InChIInChI=1S/C45H27N3O/c1-5-15-37-30(11-1)31-12-2-6-16-38(31)47(37)41-23-22-35-34-14-4-8-19-43(34)49-45(35)44(41)29-20-21-33-32-13-3-7-17-39(32)48(42(33)26-29)40-18-9-10-28-24-25-46-27-36(28)40/h1-27H
InChIKeyKQAIJLPLDSVVAZ-UHFFFAOYSA-N
XLogP12.00
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 118530374
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099526
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70659172
5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042447
5-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347702
5-[4-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347729
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
2-phenyl-9-[7-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 146395679

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole?
The IUPAC name of 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole (CID 118530381) is 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole.
What is the SMILES notation for 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole?
The canonical SMILES for 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole is c1cc(-n2c3ccccc3c3ccc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c4oc4ccccc45)cc32)c2cnccc2c1.
What is the InChIKey of 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole?
The InChIKey is KQAIJLPLDSVVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-5-15-37-30(11-1)31-12-2-6-16-38(31)47(37)41-23-22-35-34-14-4-8-19-43(34)49-45(35)44(41)29-20-21-33-32-13-3-7-17-39(32)48(42(33)26-29)40-18-9-10-28-24-25-46-27-36(28)40/h1-27H.
What are the key properties of 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole?
2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole has a molecular weight of 625.73 g/mol, XLogP of 12.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole is sourced from PubChem (CID 118530381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).