5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine

C40H23N3O — CID 147794397

IUPAC5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5cncnc5)ccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)nc1
InChIInChI=1S/C40H23N3O/c1-3-9-32-31(8-1)38-33(17-16-30-29-7-2-4-11-37(29)44-39(30)38)40(32)34-19-24(26-21-41-23-42-22-26)12-14-27(34)28-15-13-25(20-35(28)40)36-10-5-6-18-43-36/h1-23H
InChIKeyHKGREULFYFTBOW-UHFFFAOYSA-N
MW561.64 g/mol
LogP9.45
Rot. Bonds2

About 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine

5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine (PubChem CID 147794397) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine
PubChem CID147794397
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5cncnc5)ccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)nc1
InChIInChI=1S/C40H23N3O/c1-3-9-32-31(8-1)38-33(17-16-30-29-7-2-4-11-37(29)44-39(30)38)40(32)34-19-24(26-21-41-23-42-22-26)12-14-27(34)28-15-13-25(20-35(28)40)36-10-5-6-18-43-36/h1-23H
InChIKeyHKGREULFYFTBOW-UHFFFAOYSA-N
XLogP9.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
CID 134529300
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-(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
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylpyrimidine
CID 122627082
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
2-[6-(2,4-diphenyl-1,3,5-triazin-1-ium-1-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 140747607
5-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)pyrimidine
CID 118698479
2-[4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]phenyl]pyridine;3-[4-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]phenyl]pyridine
CID 167697690

Frequently Asked Questions

What is the IUPAC name of 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine?
The IUPAC name of 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine (CID 147794397) is 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine.
What is the SMILES notation for 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine?
The canonical SMILES for 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5cncnc5)ccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)nc1.
What is the InChIKey of 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine?
The InChIKey is HKGREULFYFTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c1-3-9-32-31(8-1)38-33(17-16-30-29-7-2-4-11-37(29)44-39(30)38)40(32)34-19-24(26-21-41-23-42-22-26)12-14-27(34)28-15-13-25(20-35(28)40)36-10-5-6-18-43-36/h1-23H.
What are the key properties of 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine?
5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine has a molecular weight of 561.64 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-pyridin-2-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl)pyrimidine is sourced from PubChem (CID 147794397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).