9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene

C50H34 — CID 58556038

IUPAC9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
SMILESc1ccc(-c2cc(C3c4ccccc4-c4ccccc43)ccc2-c2ccc(-c3ccc(C4c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C50H34/c1-2-12-35(13-3-1)48-32-38(50-46-20-10-6-16-42(46)43-17-7-11-21-47(43)50)30-31-39(48)36-26-22-33(23-27-36)34-24-28-37(29-25-34)49-44-18-8-4-14-40(44)41-15-5-9-19-45(41)49/h1-32,49-50H
InChIKeyYAECSOJEBSGDQD-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.01
Rot. Bonds5

About 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene

9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene (PubChem CID 58556038) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene.

Molecular Properties

Compound Name9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
PubChem CID58556038
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
SMILESc1ccc(-c2cc(C3c4ccccc4-c4ccccc43)ccc2-c2ccc(-c3ccc(C4c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C50H34/c1-2-12-35(13-3-1)48-32-38(50-46-20-10-6-16-42(46)43-17-7-11-21-47(43)50)30-31-39(48)36-26-22-33(23-27-36)34-24-28-37(29-25-34)49-44-18-8-4-14-40(44)41-15-5-9-19-45(41)49/h1-32,49-50H
InChIKeyYAECSOJEBSGDQD-UHFFFAOYSA-N
XLogP13.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene?
The IUPAC name of 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene (CID 58556038) is 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene.
What is the SMILES notation for 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene?
The canonical SMILES for 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene is c1ccc(-c2cc(C3c4ccccc4-c4ccccc43)ccc2-c2ccc(-c3ccc(C4c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene?
The InChIKey is YAECSOJEBSGDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-2-12-35(13-3-1)48-32-38(50-46-20-10-6-16-42(46)43-17-7-11-21-47(43)50)30-31-39(48)36-26-22-33(23-27-36)34-24-28-37(29-25-34)49-44-18-8-4-14-40(44)41-15-5-9-19-45(41)49/h1-32,49-50H.
What are the key properties of 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene?
9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene has a molecular weight of 634.82 g/mol, XLogP of 13.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene is sourced from PubChem (CID 58556038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).