2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline

C46H25NO2 — CID 129264602

IUPAC2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccccc4n3)cc1C21c2cc3c(cc2-c2c1ccc1c2oc2ccccc21)oc1ccccc13
InChIInChI=1S/C46H25NO2/c1-6-14-39-26(9-1)18-22-40(47-39)27-17-19-29-28-10-2-5-13-35(28)46(37(29)23-27)36-21-20-32-30-11-3-8-16-42(30)49-45(32)44(36)34-25-43-33(24-38(34)46)31-12-4-7-15-41(31)48-43/h1-25H
InChIKeyAEJDGKUKLPOUSY-UHFFFAOYSA-N
MW623.71 g/mol
LogP12.04
Rot. Bonds1

About 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline

2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline (PubChem CID 129264602) has the molecular formula C46H25NO2 and a molecular weight of 623.71 g/mol. Its IUPAC name is 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline.

Molecular Properties

Compound Name2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline
PubChem CID129264602
Molecular FormulaC46H25NO2
Molecular Weight623.71 g/mol
Exact Mass623.19
IUPAC Name2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccccc4n3)cc1C21c2cc3c(cc2-c2c1ccc1c2oc2ccccc21)oc1ccccc13
InChIInChI=1S/C46H25NO2/c1-6-14-39-26(9-1)18-22-40(47-39)27-17-19-29-28-10-2-5-13-35(28)46(37(29)23-27)36-21-20-32-30-11-3-8-16-42(30)49-45(32)44(36)34-25-43-33(24-38(34)46)31-12-4-7-15-41(31)48-43/h1-25H
InChIKeyAEJDGKUKLPOUSY-UHFFFAOYSA-N
XLogP12.04
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.71
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline with MolForge

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Related Compounds

2-[9'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-yl]-4,6-diphenyl-1,3,5-triazine;methane
CID 162212925
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine
CID 147794397
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587
2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
CID 129133236
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573611
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 162042646
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazine
CID 159097796
2-(2,3,4,5,6-pentadeuteriophenyl)-4-spiro[fluoreno[4,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
CID 158752540
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755

Frequently Asked Questions

What is the IUPAC name of 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline?
The IUPAC name of 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline (CID 129264602) is 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline.
What is the SMILES notation for 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline?
The canonical SMILES for 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline is c1ccc2c(c1)-c1ccc(-c3ccc4ccccc4n3)cc1C21c2cc3c(cc2-c2c1ccc1c2oc2ccccc21)oc1ccccc13.
What is the InChIKey of 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline?
The InChIKey is AEJDGKUKLPOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25NO2/c1-6-14-39-26(9-1)18-22-40(47-39)27-17-19-29-28-10-2-5-13-35(28)46(37(29)23-27)36-21-20-32-30-11-3-8-16-42(30)49-45(32)44(36)34-25-43-33(24-38(34)46)31-12-4-7-15-41(31)48-43/h1-25H.
What are the key properties of 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline?
2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline has a molecular weight of 623.71 g/mol, XLogP of 12.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline is sourced from PubChem (CID 129264602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).