2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan

C45H32O2 — CID 139962742

IUPAC2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan
SMILESCC(C)(C1C(c2ccco2)=Cc2ccc3ccc4ccccc4c3c21)C1C(c2ccco2)=Cc2ccc3ccc4ccccc4c3c21
InChIInChI=1S/C45H32O2/c1-45(2,43-35(37-13-7-23-46-37)25-31-21-19-29-17-15-27-9-3-5-11-33(27)39(29)41(31)43)44-36(38-14-8-24-47-38)26-32-22-20-30-18-16-28-10-4-6-12-34(28)40(30)42(32)44/h3-26,43-44H,1-2H3
InChIKeyFXLQYXVCXLXVSG-UHFFFAOYSA-N
MW604.75 g/mol
LogP12.49
Rot. Bonds4

About 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan

2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan (PubChem CID 139962742) has the molecular formula C45H32O2 and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan.

Molecular Properties

Compound Name2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan
PubChem CID139962742
Molecular FormulaC45H32O2
Molecular Weight604.75 g/mol
Exact Mass604.24
IUPAC Name2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan
SMILESCC(C)(C1C(c2ccco2)=Cc2ccc3ccc4ccccc4c3c21)C1C(c2ccco2)=Cc2ccc3ccc4ccccc4c3c21
InChIInChI=1S/C45H32O2/c1-45(2,43-35(37-13-7-23-46-37)25-31-21-19-29-17-15-27-9-3-5-11-33(27)39(29)41(31)43)44-36(38-14-8-24-47-38)26-32-22-20-30-18-16-28-10-4-6-12-34(28)40(30)42(32)44/h3-26,43-44H,1-2H3
InChIKeyFXLQYXVCXLXVSG-UHFFFAOYSA-N
XLogP12.49
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan?
The IUPAC name of 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan (CID 139962742) is 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan.
What is the SMILES notation for 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan?
The canonical SMILES for 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan is CC(C)(C1C(c2ccco2)=Cc2ccc3ccc4ccccc4c3c21)C1C(c2ccco2)=Cc2ccc3ccc4ccccc4c3c21.
What is the InChIKey of 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan?
The InChIKey is FXLQYXVCXLXVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O2/c1-45(2,43-35(37-13-7-23-46-37)25-31-21-19-29-17-15-27-9-3-5-11-33(27)39(29)41(31)43)44-36(38-14-8-24-47-38)26-32-22-20-30-18-16-28-10-4-6-12-34(28)40(30)42(32)44/h3-26,43-44H,1-2H3.
What are the key properties of 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan?
2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan has a molecular weight of 604.75 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(furan-2-yl)-1H-cyclopenta[c]phenanthren-1-yl]propan-2-yl]-1H-cyclopenta[c]phenanthren-2-yl]furan is sourced from PubChem (CID 139962742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).