9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene

C44H30 — CID 101465360

IUPAC9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene
SMILESc1ccc(C2(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C44H30/c1-3-16-31(17-4-1)43(39-26-11-7-22-35(39)36-23-8-12-27-40(36)43)33-20-15-21-34(30-33)44(32-18-5-2-6-19-32)41-28-13-9-24-37(41)38-25-10-14-29-42(38)44/h1-30H
InChIKeyDVLTYJIOONATFM-UHFFFAOYSA-N
MW558.72 g/mol
LogP10.41
Rot. Bonds4

About 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene

9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene (PubChem CID 101465360) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene.

Molecular Properties

Compound Name9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene
PubChem CID101465360
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene
SMILESc1ccc(C2(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C44H30/c1-3-16-31(17-4-1)43(39-26-11-7-22-35(39)36-23-8-12-27-40(36)43)33-20-15-21-34(30-33)44(32-18-5-2-6-19-32)41-28-13-9-24-37(41)38-25-10-14-29-42(38)44/h1-30H
InChIKeyDVLTYJIOONATFM-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene?
The IUPAC name of 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene (CID 101465360) is 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene.
What is the SMILES notation for 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene?
The canonical SMILES for 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene is c1ccc(C2(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene?
The InChIKey is DVLTYJIOONATFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-3-16-31(17-4-1)43(39-26-11-7-22-35(39)36-23-8-12-27-40(36)43)33-20-15-21-34(30-33)44(32-18-5-2-6-19-32)41-28-13-9-24-37(41)38-25-10-14-29-42(38)44/h1-30H.
What are the key properties of 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene?
9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene has a molecular weight of 558.72 g/mol, XLogP of 10.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9-[3-(9-phenylfluoren-9-yl)phenyl]fluorene is sourced from PubChem (CID 101465360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).