2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene

C55H36 — CID 159018223

IUPAC2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc5c4Cc4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C55H36/c1-2-12-36(13-3-1)37-24-26-38(27-25-37)39-15-11-18-43(31-39)52-34-45(35-53-46-19-5-4-14-44(46)33-55(52)53)41-17-10-16-40(30-41)42-28-29-51-49-22-7-6-20-47(49)48-21-8-9-23-50(48)54(51)32-42/h1-32,34-35H,33H2
InChIKeyLWIIOFCFMVJFAA-UHFFFAOYSA-N
MW696.89 g/mol
LogP15.05
Rot. Bonds5

About 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene

2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene (PubChem CID 159018223) has the molecular formula C55H36 and a molecular weight of 696.89 g/mol. Its IUPAC name is 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
PubChem CID159018223
Molecular FormulaC55H36
Molecular Weight696.89 g/mol
Exact Mass696.28
IUPAC Name2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc5c4Cc4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C55H36/c1-2-12-36(13-3-1)37-24-26-38(27-25-37)39-15-11-18-43(31-39)52-34-45(35-53-46-19-5-4-14-44(46)33-55(52)53)41-17-10-16-40(30-41)42-28-29-51-49-22-7-6-20-47(49)48-21-8-9-23-50(48)54(51)32-42/h1-32,34-35H,33H2
InChIKeyLWIIOFCFMVJFAA-UHFFFAOYSA-N
XLogP15.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
19-[3-(3,5-diphenylphenyl)phenyl]pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123937708
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 145060053
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
2-[4-[10-(9H-fluoren-3-yl)triphenylen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155198239
18-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene
CID 58489376

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene?
The IUPAC name of 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene (CID 159018223) is 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene.
What is the SMILES notation for 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene?
The canonical SMILES for 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene is c1ccc(-c2ccc(-c3cccc(-c4cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc5c4Cc4ccccc4-5)c3)cc2)cc1.
What is the InChIKey of 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene?
The InChIKey is LWIIOFCFMVJFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36/c1-2-12-36(13-3-1)37-24-26-38(27-25-37)39-15-11-18-43(31-39)52-34-45(35-53-46-19-5-4-14-44(46)33-55(52)53)41-17-10-16-40(30-41)42-28-29-51-49-22-7-6-20-47(49)48-21-8-9-23-50(48)54(51)32-42/h1-32,34-35H,33H2.
What are the key properties of 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene?
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene has a molecular weight of 696.89 g/mol, XLogP of 15.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene is sourced from PubChem (CID 159018223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).