2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene

C43H28 — CID 123153262

IUPAC2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
SMILESc1ccc(C2(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H28/c1-2-14-31(15-3-1)43(41-23-10-8-21-38(41)39-22-9-11-24-42(39)43)32-16-12-13-29(27-32)30-25-26-37-35-19-5-4-17-33(35)34-18-6-7-20-36(34)40(37)28-30/h1-28H
InChIKeyCQMHLXZHVDHOAF-UHFFFAOYSA-N
MW544.70 g/mol
LogP11.18
Rot. Bonds3

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

2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene (PubChem CID 123153262) has the molecular formula C43H28 and a molecular weight of 544.70 g/mol. Its IUPAC name is 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
PubChem CID123153262
Molecular FormulaC43H28
Molecular Weight544.70 g/mol
Exact Mass544.22
IUPAC Name2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
SMILESc1ccc(C2(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H28/c1-2-14-31(15-3-1)43(41-23-10-8-21-38(41)39-22-9-11-24-42(39)43)32-16-12-13-29(27-32)30-25-26-37-35-19-5-4-17-33(35)34-18-6-7-20-36(34)40(37)28-30/h1-28H
InChIKeyCQMHLXZHVDHOAF-UHFFFAOYSA-N
XLogP11.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 511.18
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-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138600364
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
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene
CID 169292907
N,9,9-triphenyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 142567679
3,9,9-triphenylfluorene
CID 140844354
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164
9-[4-[3-[9-[3-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene
CID 123659386
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene?
The IUPAC name of 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene (CID 123153262) is 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene.
What is the SMILES notation for 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene?
The canonical SMILES for 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene is c1ccc(C2(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene?
The InChIKey is CQMHLXZHVDHOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28/c1-2-14-31(15-3-1)43(41-23-10-8-21-38(41)39-22-9-11-24-42(39)43)32-16-12-13-29(27-32)30-25-26-37-35-19-5-4-17-33(35)34-18-6-7-20-36(34)40(37)28-30/h1-28H.
What are the key properties of 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene?
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene has a molecular weight of 544.70 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene is sourced from PubChem (CID 123153262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).