2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine

C54H33N — CID 134528188

IUPAC2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C54H33N/c1-3-16-34(17-4-1)36-30-51(35-18-5-2-6-19-35)55-52(31-36)44-27-15-26-43-41-24-11-13-28-48(41)54(53(43)44)49-29-14-12-25-42(49)47-32-45-39-22-9-7-20-37(39)38-21-8-10-23-40(38)46(45)33-50(47)54/h1-33H
InChIKeyFUEXMUJELXBTFG-UHFFFAOYSA-N
MW695.87 g/mol
LogP13.89
Rot. Bonds3

About 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine

2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine (PubChem CID 134528188) has the molecular formula C54H33N and a molecular weight of 695.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine.

Molecular Properties

Compound Name2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine
PubChem CID134528188
Molecular FormulaC54H33N
Molecular Weight695.87 g/mol
Exact Mass695.26
IUPAC Name2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C54H33N/c1-3-16-34(17-4-1)36-30-51(35-18-5-2-6-19-35)55-52(31-36)44-27-15-26-43-41-24-11-13-28-48(41)54(53(43)44)49-29-14-12-25-42(49)47-32-45-39-22-9-7-20-37(39)38-21-8-10-23-40(38)46(45)33-50(47)54/h1-33H
InChIKeyFUEXMUJELXBTFG-UHFFFAOYSA-N
XLogP13.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine with MolForge

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Related Compounds

4-(3,5-diphenylphenyl)-2-phenyl-6-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-2-ylpyridine
CID 155186253
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 158550157
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416
CID 129023472
CID 129023472
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine?
The IUPAC name of 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine (CID 134528188) is 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine.
What is the SMILES notation for 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine?
The canonical SMILES for 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3C3(c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine?
The InChIKey is FUEXMUJELXBTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N/c1-3-16-34(17-4-1)36-30-51(35-18-5-2-6-19-35)55-52(31-36)44-27-15-26-43-41-24-11-13-28-48(41)54(53(43)44)49-29-14-12-25-42(49)47-32-45-39-22-9-7-20-37(39)38-21-8-10-23-40(38)46(45)33-50(47)54/h1-33H.
What are the key properties of 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine?
2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine has a molecular weight of 695.87 g/mol, XLogP of 13.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-1-ylpyridine is sourced from PubChem (CID 134528188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).