4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine

C48H29N — CID 137492910

IUPAC4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3cc(-c4ccc(-c5ccncc5)cc4)ccc3cc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C48H29N/c1-3-13-40-36(9-1)37-10-2-4-14-41(37)47-46(40)42-28-34-22-21-33(31-19-17-30(18-20-31)32-23-25-49-26-24-32)27-35(34)29-45(42)48(47)43-15-7-5-11-38(43)39-12-6-8-16-44(39)48/h1-29H
InChIKeyIZVOARFKJKKQPS-UHFFFAOYSA-N
MW619.77 g/mol
LogP12.22
Rot. Bonds2

About 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine

4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine (PubChem CID 137492910) has the molecular formula C48H29N and a molecular weight of 619.77 g/mol. Its IUPAC name is 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine
PubChem CID137492910
Molecular FormulaC48H29N
Molecular Weight619.77 g/mol
Exact Mass619.23
IUPAC Name4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3cc(-c4ccc(-c5ccncc5)cc4)ccc3cc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C48H29N/c1-3-13-40-36(9-1)37-10-2-4-14-41(37)47-46(40)42-28-34-22-21-33(31-19-17-30(18-20-31)32-23-25-49-26-24-32)27-35(34)29-45(42)48(47)43-15-7-5-11-38(43)39-12-6-8-16-44(39)48/h1-29H
InChIKeyIZVOARFKJKKQPS-UHFFFAOYSA-N
XLogP12.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine with MolForge

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Related Compounds

2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine
CID 137493485
4-(17'-phenylspiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl)pyridine
CID 134574227
5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]
CID 140962396
1-methyl-2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)benzimidazole
CID 137493437
2-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)imidazo[1,2-a]pyrimidine
CID 137494785
2-[10-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)anthracen-9-yl]dibenzofuran
CID 137494278
20'-(2-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];20'-(3-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];20'-(4-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 158430376
5-[17'-(4-pyridin-4-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene]-7'-yl]-2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)pyridine
CID 137493107
25,25-diphenyl-20-[10-(3-phenylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725874
25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725639
2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 137493632
22'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962406

Frequently Asked Questions

What is the IUPAC name of 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine?
The IUPAC name of 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine (CID 137492910) is 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine.
What is the SMILES notation for 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine?
The canonical SMILES for 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine is c1ccc2c(c1)-c1ccccc1C21c2cc3cc(-c4ccc(-c5ccncc5)cc4)ccc3cc2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine?
The InChIKey is IZVOARFKJKKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N/c1-3-13-40-36(9-1)37-10-2-4-14-41(37)47-46(40)42-28-34-22-21-33(31-19-17-30(18-20-31)32-23-25-49-26-24-32)27-35(34)29-45(42)48(47)43-15-7-5-11-38(43)39-12-6-8-16-44(39)48/h1-29H.
What are the key properties of 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine?
4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine has a molecular weight of 619.77 g/mol, XLogP of 12.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)pyridine is sourced from PubChem (CID 137492910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).