1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one

C43H28N6O — CID 177128924

IUPAC1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccc(-n3nc(-c4ccccc4)c4ccccc43)cc2n1-c1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C43H28N6O/c50-43-46(30-15-5-2-6-16-30)38-25-23-32(49-37-20-10-8-18-35(37)42(45-49)29-13-3-1-4-14-29)28-40(38)47(43)31-22-24-34-33-17-7-9-19-36(33)48(39(34)27-31)41-21-11-12-26-44-41/h1-28H
InChIKeyKGHHFDAYABQASJ-UHFFFAOYSA-N
MW644.74 g/mol
LogP9.28
Rot. Bonds5

About 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one

1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one (PubChem CID 177128924) has the molecular formula C43H28N6O and a molecular weight of 644.74 g/mol. Its IUPAC name is 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one
PubChem CID177128924
Molecular FormulaC43H28N6O
Molecular Weight644.74 g/mol
Exact Mass644.23
IUPAC Name1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccc(-n3nc(-c4ccccc4)c4ccccc43)cc2n1-c1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C43H28N6O/c50-43-46(30-15-5-2-6-16-30)38-25-23-32(49-37-20-10-8-18-35(37)42(45-49)29-13-3-1-4-14-29)28-40(38)47(43)31-22-24-34-33-17-7-9-19-36(33)48(39(34)27-31)41-21-11-12-26-44-41/h1-28H
InChIKeyKGHHFDAYABQASJ-UHFFFAOYSA-N
XLogP9.28
TPSA62.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.74
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
2-imidazo[1,5-a]pyridin-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140730176
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
3-(4-phenylphenyl)-1-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]quinazoline-2,4-dione
CID 122491548
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
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-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 164707172
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
CID 118301337
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one?
The IUPAC name of 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one (CID 177128924) is 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one.
What is the SMILES notation for 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one?
The canonical SMILES for 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one is O=c1n(-c2ccccc2)c2ccc(-n3nc(-c4ccccc4)c4ccccc43)cc2n1-c1ccc2c3ccccc3n(-c3ccccn3)c2c1.
What is the InChIKey of 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one?
The InChIKey is KGHHFDAYABQASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6O/c50-43-46(30-15-5-2-6-16-30)38-25-23-32(49-37-20-10-8-18-35(37)42(45-49)29-13-3-1-4-14-29)28-40(38)47(43)31-22-24-34-33-17-7-9-19-36(33)48(39(34)27-31)41-21-11-12-26-44-41/h1-28H.
What are the key properties of 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one?
1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one has a molecular weight of 644.74 g/mol, XLogP of 9.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(3-phenylindazol-1-yl)-3-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-one is sourced from PubChem (CID 177128924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).