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

C37H24 — CID 162204348

IUPAC2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C37H24/c1-2-14-29-27(12-1)28-13-3-4-17-32(28)36-23-25(20-21-33(29)36)24-10-9-11-26(22-24)37-34-18-7-5-15-30(34)31-16-6-8-19-35(31)37/h1-23,37H
InChIKeyLPYBXSVFVWAXQL-UHFFFAOYSA-N
MW468.60 g/mol
LogP9.97
Rot. Bonds2

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

2-[3-(9H-fluoren-9-yl)phenyl]triphenylene (PubChem CID 162204348) has the molecular formula C37H24 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
PubChem CID162204348
Molecular FormulaC37H24
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C37H24/c1-2-14-29-27(12-1)28-13-3-4-17-32(28)36-23-25(20-21-33(29)36)24-10-9-11-26(22-24)37-34-18-7-5-15-30(34)31-16-6-8-19-35(31)37/h1-23,37H
InChIKeyLPYBXSVFVWAXQL-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 59.97
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

1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
CID 58421134
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene
CID 118685467
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
9-benzyl-6-(9-triphenylen-2-yl-9H-fluoren-3-yl)-9H-indeno[2,1-b]pyridine
CID 142356041
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
2-methyl-3-[3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]benzenethiol
CID 170132483
9-phenyl-9H-fluorene
CID 13091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene?
The IUPAC name of 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene (CID 162204348) is 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene.
What is the SMILES notation for 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene?
The canonical SMILES for 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene?
The InChIKey is LPYBXSVFVWAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24/c1-2-14-29-27(12-1)28-13-3-4-17-32(28)36-23-25(20-21-33(29)36)24-10-9-11-26(22-24)37-34-18-7-5-15-30(34)31-16-6-8-19-35(31)37/h1-23,37H.
What are the key properties of 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene?
2-[3-(9H-fluoren-9-yl)phenyl]triphenylene has a molecular weight of 468.60 g/mol, XLogP of 9.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-9-yl)phenyl]triphenylene is sourced from PubChem (CID 162204348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).