20'-(3-triphenylen-2-ylphenyl)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]

C61H36 — CID 159754407

IUPAC20'-(3-triphenylen-2-ylphenyl)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]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c5ccccc5c5ccccc5c4cc2-3)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C61H36/c1-2-20-45-41(16-1)42-17-3-6-21-46(42)53-33-39(28-30-49(45)53)37-14-13-15-38(32-37)40-29-31-52-56-35-54-47-22-7-4-18-43(47)44-19-5-8-23-48(44)55(54)36-60(56)61(59(52)34-40)57-26-11-9-24-50(57)51-25-10-12-27-58(51)61/h1-36H
InChIKeyBVKPLXDIKIQETR-UHFFFAOYSA-N
MW768.96 g/mol
LogP16.28
Rot. Bonds2

About 20'-(3-triphenylen-2-ylphenyl)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]

20'-(3-triphenylen-2-ylphenyl)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] (PubChem CID 159754407) has the molecular formula C61H36 and a molecular weight of 768.96 g/mol. Its IUPAC name is 20'-(3-triphenylen-2-ylphenyl)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].

Molecular Properties

Compound Name20'-(3-triphenylen-2-ylphenyl)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]
PubChem CID159754407
Molecular FormulaC61H36
Molecular Weight768.96 g/mol
Exact Mass768.28
IUPAC Name20'-(3-triphenylen-2-ylphenyl)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]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c5ccccc5c5ccccc5c4cc2-3)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C61H36/c1-2-20-45-41(16-1)42-17-3-6-21-46(42)53-33-39(28-30-49(45)53)37-14-13-15-38(32-37)40-29-31-52-56-35-54-47-22-7-4-18-43(47)44-19-5-8-23-48(44)55(54)36-60(56)61(59(52)34-40)57-26-11-9-24-50(57)51-25-10-12-27-58(51)61/h1-36H
InChIKeyBVKPLXDIKIQETR-UHFFFAOYSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 20'-(3-triphenylen-2-ylphenyl)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] with MolForge

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Related Compounds

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
8'-[3-(3-spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]-8'-ylphenyl)phenyl]spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene]
CID 123626063
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
4-(3-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-ylphenyl)dibenzothiophene
CID 122413304
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
9-phenyl-2-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]-2-ylcarbazole
CID 134528134
N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308912
4-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-yldibenzothiophene
CID 122413296
2-phenyl-4-(4-phenylphenyl)-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 138599979
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
14',21'-bis(3,5-diphenylphenyl)spiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175351

Frequently Asked Questions

What is the IUPAC name of 20'-(3-triphenylen-2-ylphenyl)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]?
The IUPAC name of 20'-(3-triphenylen-2-ylphenyl)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 159754407) is 20'-(3-triphenylen-2-ylphenyl)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].
What is the SMILES notation for 20'-(3-triphenylen-2-ylphenyl)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]?
The canonical SMILES for 20'-(3-triphenylen-2-ylphenyl)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] is c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4c5ccccc5c5ccccc5c4cc2-3)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 20'-(3-triphenylen-2-ylphenyl)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]?
The InChIKey is BVKPLXDIKIQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36/c1-2-20-45-41(16-1)42-17-3-6-21-46(42)53-33-39(28-30-49(45)53)37-14-13-15-38(32-37)40-29-31-52-56-35-54-47-22-7-4-18-43(47)44-19-5-8-23-48(44)55(54)36-60(56)61(59(52)34-40)57-26-11-9-24-50(57)51-25-10-12-27-58(51)61/h1-36H.
What are the key properties of 20'-(3-triphenylen-2-ylphenyl)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]?
20'-(3-triphenylen-2-ylphenyl)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] has a molecular weight of 768.96 g/mol, XLogP of 16.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 20'-(3-triphenylen-2-ylphenyl)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] is sourced from PubChem (CID 159754407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).