9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene

C54H36 — CID 58556083

IUPAC9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccc(-c2cc(-c3ccc(C4c5ccccc5-c5ccccc54)cc3)cc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C54H36/c1-2-14-43-37(12-1)13-11-23-44(43)42-33-40(35-24-28-38(29-25-35)53-49-19-7-3-15-45(49)46-16-4-8-20-50(46)53)32-41(34-42)36-26-30-39(31-27-36)54-51-21-9-5-17-47(51)48-18-6-10-22-52(48)54/h1-34,53-54H
InChIKeyPKTMFZVXKFEERB-UHFFFAOYSA-N
MW684.88 g/mol
LogP14.16
Rot. Bonds5

About 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene

9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene (PubChem CID 58556083) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene.

Molecular Properties

Compound Name9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
PubChem CID58556083
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2c1ccc(-c2cc(-c3ccc(C4c5ccccc5-c5ccccc54)cc3)cc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C54H36/c1-2-14-43-37(12-1)13-11-23-44(43)42-33-40(35-24-28-38(29-25-35)53-49-19-7-3-15-45(49)46-16-4-8-20-50(46)53)32-41(34-42)36-26-30-39(31-27-36)54-51-21-9-5-17-47(51)48-18-6-10-22-52(48)54/h1-34,53-54H
InChIKeyPKTMFZVXKFEERB-UHFFFAOYSA-N
XLogP14.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159880784
9-[2-(9H-fluoren-9-yl)ethyl]-2,7-dinaphthalen-1-yl-9H-fluorene
CID 15494424
1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
CID 58556038
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene?
The IUPAC name of 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene (CID 58556083) is 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene.
What is the SMILES notation for 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene?
The canonical SMILES for 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene is c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2cc(-c3ccc(C4c5ccccc5-c5ccccc54)cc3)cc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene?
The InChIKey is PKTMFZVXKFEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-2-14-43-37(12-1)13-11-23-44(43)42-33-40(35-24-28-38(29-25-35)53-49-19-7-3-15-45(49)46-16-4-8-20-50(46)53)32-41(34-42)36-26-30-39(31-27-36)54-51-21-9-5-17-47(51)48-18-6-10-22-52(48)54/h1-34,53-54H.
What are the key properties of 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene?
9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene has a molecular weight of 684.88 g/mol, XLogP of 14.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene is sourced from PubChem (CID 58556083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).