2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline

C46H27NO2 — CID 156560159

IUPAC2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
SMILESc1ccc(-c2nc3ccccc3cc2-c2cccc3oc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-13-28(14-3-1)45-33(25-29-15-4-9-21-39(29)47-45)31-17-12-24-42-44(31)34-26-32-30-16-5-6-18-35(30)46(38(32)27-43(34)49-42)36-19-7-10-22-40(36)48-41-23-11-8-20-37(41)46/h1-27H
InChIKeyZGEIFSGRFVVYAA-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.94
Rot. Bonds2

About 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline

2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline (PubChem CID 156560159) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline.

Molecular Properties

Compound Name2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
PubChem CID156560159
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
SMILESc1ccc(-c2nc3ccccc3cc2-c2cccc3oc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-13-28(14-3-1)45-33(25-29-15-4-9-21-39(29)47-45)31-17-12-24-42-44(31)34-26-32-30-16-5-6-18-35(30)46(38(32)27-43(34)49-42)36-19-7-10-22-40(36)48-41-23-11-8-20-37(41)46/h1-27H
InChIKeyZGEIFSGRFVVYAA-UHFFFAOYSA-N
XLogP11.94
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156559765
4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine
CID 167340522
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
CID 156560244
2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 156559736
21-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 147719611
21-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615620
14-(4-bromophenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615710
21-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615611
21-[4-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene];21-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 165027797
21-[4-[4-dibenzofuran-1-yl-6-[3-[6-[4-phenyl-6-(4-spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]-21-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615605
21-phenyl-17-[10-(4-phenylphenyl)anthracen-9-yl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene-10,9'-xanthene]
CID 164737400
21-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 152788019

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
The IUPAC name of 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline (CID 156560159) is 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline.
What is the SMILES notation for 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
The canonical SMILES for 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline is c1ccc(-c2nc3ccccc3cc2-c2cccc3oc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
The InChIKey is ZGEIFSGRFVVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-13-28(14-3-1)45-33(25-29-15-4-9-21-39(29)47-45)31-17-12-24-42-44(31)34-26-32-30-16-5-6-18-35(30)46(38(32)27-43(34)49-42)36-19-7-10-22-40(36)48-41-23-11-8-20-37(41)46/h1-27H.
What are the key properties of 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline has a molecular weight of 625.73 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline is sourced from PubChem (CID 156560159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).