3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole

C43H29N5O — CID 140954841

IUPAC3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
SMILESCn1c(-c2cccc(Oc3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)c3ccccc3n6-c3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C43H29N5O/c1-46-38-19-8-6-17-36(38)45-43(46)28-12-11-15-30(24-28)49-31-21-22-33-35-26-40-34(27-41(35)48(39(33)25-31)42-20-9-10-23-44-42)32-16-5-7-18-37(32)47(40)29-13-3-2-4-14-29/h2-27H,1H3
InChIKeyWPXNQAIVBLKPMK-UHFFFAOYSA-N
MW631.74 g/mol
LogP10.62
Rot. Bonds5

About 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole

3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole (PubChem CID 140954841) has the molecular formula C43H29N5O and a molecular weight of 631.74 g/mol. Its IUPAC name is 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
PubChem CID140954841
Molecular FormulaC43H29N5O
Molecular Weight631.74 g/mol
Exact Mass631.24
IUPAC Name3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
SMILESCn1c(-c2cccc(Oc3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)c3ccccc3n6-c3ccccc3)c2)nc2ccccc21
InChIInChI=1S/C43H29N5O/c1-46-38-19-8-6-17-36(38)45-43(46)28-12-11-15-30(24-28)49-31-21-22-33-35-26-40-34(27-41(35)48(39(33)25-31)42-20-9-10-23-44-42)32-16-5-7-18-37(32)47(40)29-13-3-2-4-14-29/h2-27H,1H3
InChIKeyWPXNQAIVBLKPMK-UHFFFAOYSA-N
XLogP10.62
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[3-(1-methylbenzimidazol-2-yl)phenoxy]-5,8,8-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[3,2-c]carbazole
CID 140955513
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
8,8-dimethyl-7-[3-(1-methylbenzimidazol-2-yl)phenoxy]-13-phenyl-5-pyridin-2-ylindolo[2,3-c]acridine
CID 140955104
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
CID 154592375
2-[3-(4-phenyltriazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 170654817
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?
The IUPAC name of 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole (CID 140954841) is 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?
The canonical SMILES for 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole is Cn1c(-c2cccc(Oc3ccc4c5cc6c(cc5n(-c5ccccn5)c4c3)c3ccccc3n6-c3ccccc3)c2)nc2ccccc21.
What is the InChIKey of 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?
The InChIKey is WPXNQAIVBLKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O/c1-46-38-19-8-6-17-36(38)45-43(46)28-12-11-15-30(24-28)49-31-21-22-33-35-26-40-34(27-41(35)48(39(33)25-31)42-20-9-10-23-44-42)32-16-5-7-18-37(32)47(40)29-13-3-2-4-14-29/h2-27H,1H3.
What are the key properties of 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole has a molecular weight of 631.74 g/mol, XLogP of 10.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 140954841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).