3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole

C39H26N4O2 — CID 142328409

IUPAC3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
SMILESCn1c(-c2cc3c(cc2-c2ccco2)c2cc(-c4ccco4)ccc2n3-c2cccc(-c3ccccn3)c2)nc2ccccc21
InChIInChI=1S/C39H26N4O2/c1-42-35-13-3-2-12-33(35)41-39(42)31-24-36-29(23-30(31)38-15-8-20-45-38)28-22-26(37-14-7-19-44-37)16-17-34(28)43(36)27-10-6-9-25(21-27)32-11-4-5-18-40-32/h2-24H,1H3
InChIKeyYFSPHDXVMNJNQA-UHFFFAOYSA-N
MW582.66 g/mol
LogP9.92
Rot. Bonds5

About 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole

3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole (PubChem CID 142328409) has the molecular formula C39H26N4O2 and a molecular weight of 582.66 g/mol. Its IUPAC name is 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
PubChem CID142328409
Molecular FormulaC39H26N4O2
Molecular Weight582.66 g/mol
Exact Mass582.21
IUPAC Name3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
SMILESCn1c(-c2cc3c(cc2-c2ccco2)c2cc(-c4ccco4)ccc2n3-c2cccc(-c3ccccn3)c2)nc2ccccc21
InChIInChI=1S/C39H26N4O2/c1-42-35-13-3-2-12-33(35)41-39(42)31-24-36-29(23-30(31)38-15-8-20-45-38)28-22-26(37-14-7-19-44-37)16-17-34(28)43(36)27-10-6-9-25(21-27)32-11-4-5-18-40-32/h2-24H,1H3
InChIKeyYFSPHDXVMNJNQA-UHFFFAOYSA-N
XLogP9.92
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.66
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
CID 142329004
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
2-[5-(furan-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328998
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329611
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole (CID 142328409) is 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole is Cn1c(-c2cc3c(cc2-c2ccco2)c2cc(-c4ccco4)ccc2n3-c2cccc(-c3ccccn3)c2)nc2ccccc21.
What is the InChIKey of 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
The InChIKey is YFSPHDXVMNJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O2/c1-42-35-13-3-2-12-33(35)41-39(42)31-24-36-29(23-30(31)38-15-8-20-45-38)28-22-26(37-14-7-19-44-37)16-17-34(28)43(36)27-10-6-9-25(21-27)32-11-4-5-18-40-32/h2-24H,1H3.
What are the key properties of 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole?
3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole has a molecular weight of 582.66 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 142328409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).