3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole

C41H25N3O — CID 166905618

IUPAC3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)ccc32)nc1
InChIInChI=1S/C41H25N3O/c1-4-14-34-28(10-1)32-24-26(19-21-36(32)43(34)38-16-9-13-31-30-12-3-6-17-39(30)45-41(31)38)27-20-22-37-33(25-27)29-11-2-5-15-35(29)44(37)40-18-7-8-23-42-40/h1-25H
InChIKeyBFPBCOKPWPZVIS-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.84
Rot. Bonds3

About 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole (PubChem CID 166905618) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
PubChem CID166905618
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)ccc32)nc1
InChIInChI=1S/C41H25N3O/c1-4-14-34-28(10-1)32-24-26(19-21-36(32)43(34)38-16-9-13-31-30-12-3-6-17-39(30)45-41(31)38)27-20-22-37-33(25-27)29-11-2-5-15-35(29)44(37)40-18-7-8-23-42-40/h1-25H
InChIKeyBFPBCOKPWPZVIS-UHFFFAOYSA-N
XLogP10.84
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
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
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
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
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-pyridin-2-ylcarbazole
CID 163837269

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole (CID 166905618) is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)ccc32)nc1.
What is the InChIKey of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The InChIKey is BFPBCOKPWPZVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-4-14-34-28(10-1)32-24-26(19-21-36(32)43(34)38-16-9-13-31-30-12-3-6-17-39(30)45-41(31)38)27-20-22-37-33(25-27)29-11-2-5-15-35(29)44(37)40-18-7-8-23-42-40/h1-25H.
What are the key properties of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole has a molecular weight of 575.67 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 166905618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).