3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole

C45H27N3O — CID 118530374

IUPAC3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
SMILESc1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c4oc4ccccc45)ccc32)c2cccnc2c1
InChIInChI=1S/C45H27N3O/c1-5-17-37-29(11-1)30-12-2-6-18-38(30)48(37)42-25-23-33-32-14-4-8-21-43(32)49-45(33)44(42)28-22-24-41-35(27-28)31-13-3-7-19-39(31)47(41)40-20-9-16-36-34(40)15-10-26-46-36/h1-27H
InChIKeyGJTBCBXHJYUTBZ-UHFFFAOYSA-N
MW625.73 g/mol
LogP12.00
Rot. Bonds3

About 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole

3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole (PubChem CID 118530374) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole.

Molecular Properties

Compound Name3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
PubChem CID118530374
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
SMILESc1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c4oc4ccccc45)ccc32)c2cccnc2c1
InChIInChI=1S/C45H27N3O/c1-5-17-37-29(11-1)30-12-2-6-18-38(30)48(37)42-25-23-33-32-14-4-8-21-43(32)49-45(33)44(42)28-22-24-41-35(27-28)31-13-3-7-19-39(31)47(41)40-20-9-16-36-34(40)15-10-26-46-36/h1-27H
InChIKeyGJTBCBXHJYUTBZ-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

2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole
CID 118530381
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70659172
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
CID 87156910
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 126753261
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole?
The IUPAC name of 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole (CID 118530374) is 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole.
What is the SMILES notation for 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole?
The canonical SMILES for 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole is c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)ccc5c4oc4ccccc45)ccc32)c2cccnc2c1.
What is the InChIKey of 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole?
The InChIKey is GJTBCBXHJYUTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-5-17-37-29(11-1)30-12-2-6-18-38(30)48(37)42-25-23-33-32-14-4-8-21-43(32)49-45(33)44(42)28-22-24-41-35(27-28)31-13-3-7-19-39(31)47(41)40-20-9-16-36-34(40)15-10-26-46-36/h1-27H.
What are the key properties of 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole?
3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-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 3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole is sourced from PubChem (CID 118530374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).