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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

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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