2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline

C46H32N6OS — CID 141213927

IUPAC2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline
SMILESc1c[nH]c(C2(c3ccc[nH]3)C(c3ccco3)=C(c3cccs3)C(c3cc4ccccc4[nH]3)=C(c3n[nH]c4ccccc34)C2c2ccc3ccccc3n2)c1
InChIInChI=1S/C46H32N6OS/c1-4-14-31-28(11-1)21-22-34(49-31)43-42(45-30-13-3-6-16-33(30)51-52-45)40(35-27-29-12-2-5-15-32(29)50-35)41(37-18-10-26-54-37)44(36-17-9-25-53-36)46(43,38-19-7-23-47-38)39-20-8-24-48-39/h1-27,43,47-48,50H,(H,51,52)
InChIKeyGZQJBQRUECEUND-UHFFFAOYSA-N
MW716.87 g/mol
LogP11.21
Rot. Bonds7

About 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline

2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline (PubChem CID 141213927) has the molecular formula C46H32N6OS and a molecular weight of 716.87 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline
PubChem CID141213927
Molecular FormulaC46H32N6OS
Molecular Weight716.87 g/mol
Exact Mass716.24
IUPAC Name2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline
SMILESc1c[nH]c(C2(c3ccc[nH]3)C(c3ccco3)=C(c3cccs3)C(c3cc4ccccc4[nH]3)=C(c3n[nH]c4ccccc34)C2c2ccc3ccccc3n2)c1
InChIInChI=1S/C46H32N6OS/c1-4-14-31-28(11-1)21-22-34(49-31)43-42(45-30-13-3-6-16-33(30)51-52-45)40(35-27-29-12-2-5-15-32(29)50-35)41(37-18-10-26-54-37)44(36-17-9-25-53-36)46(43,38-19-7-23-47-38)39-20-8-24-48-39/h1-27,43,47-48,50H,(H,51,52)
InChIKeyGZQJBQRUECEUND-UHFFFAOYSA-N
XLogP11.21
TPSA102.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.87
LogP ≤ 511.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

4-(furan-3-yl)-3-thiophen-3-yl-1H-pyrazolo[4,3-c]pyridine
CID 132452775
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
1-[(2S)-1-[[5-[3-(5-methylfuran-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]-1-[(2S)-1-[[5-[3-(5-methylthiophen-2-yl)-1H-indazol-5-yl]-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]hydrazine
CID 91501037
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
3-[2-(1-benzofuran-3-yl)-4-(1H-indol-3-yl)-1-benzothiophen-3-yl]-1-methylindazole
CID 140997535
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
2-[3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrazol-3-yl)phenyl]quinoline
CID 141080146
2-[4-(1H-benzotriazol-4-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrazol-3-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141108456
5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine
CID 141136937
3-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-ylcyclohexa-1,3-dien-1-yl]-1H-indazole
CID 141151174
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-6-(1H-pyrrol-2-yl)-5,6-dithiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
CID 141204914

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline?
The IUPAC name of 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline (CID 141213927) is 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline.
What is the SMILES notation for 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline?
The canonical SMILES for 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline is c1c[nH]c(C2(c3ccc[nH]3)C(c3ccco3)=C(c3cccs3)C(c3cc4ccccc4[nH]3)=C(c3n[nH]c4ccccc34)C2c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline?
The InChIKey is GZQJBQRUECEUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N6OS/c1-4-14-31-28(11-1)21-22-34(49-31)43-42(45-30-13-3-6-16-33(30)51-52-45)40(35-27-29-12-2-5-15-32(29)50-35)41(37-18-10-26-54-37)44(36-17-9-25-53-36)46(43,38-19-7-23-47-38)39-20-8-24-48-39/h1-27,43,47-48,50H,(H,51,52).
What are the key properties of 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline?
2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline has a molecular weight of 716.87 g/mol, XLogP of 11.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-2-(1H-indazol-3-yl)-3-(1H-indol-2-yl)-6,6-bis(1H-pyrrol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]quinoline is sourced from PubChem (CID 141213927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).