9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene

C52H36 — CID 58894843

IUPAC9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
SMILESCc1ccc(-c2ccc(C3(c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc(-c5ccc6ccccc6c5)cc43)cc2)cc1
InChIInChI=1S/C52H36/c1-35-15-17-38(18-16-35)39-23-27-47(28-24-39)52(46-13-3-2-4-14-46)50-33-44(42-21-19-36-9-5-7-11-40(36)31-42)25-29-48(50)49-30-26-45(34-51(49)52)43-22-20-37-10-6-8-12-41(37)32-43/h2-34H,1H3
InChIKeyROISRYXYGHERBQ-UHFFFAOYSA-N
MW660.86 g/mol
LogP13.67
Rot. Bonds5

About 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene

9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene (PubChem CID 58894843) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene.

Molecular Properties

Compound Name9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
PubChem CID58894843
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
SMILESCc1ccc(-c2ccc(C3(c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc(-c5ccc6ccccc6c5)cc43)cc2)cc1
InChIInChI=1S/C52H36/c1-35-15-17-38(18-16-35)39-23-27-47(28-24-39)52(46-13-3-2-4-14-46)50-33-44(42-21-19-36-9-5-7-11-40(36)31-42)25-29-48(50)49-30-26-45(34-51(49)52)43-22-20-37-10-6-8-12-41(37)32-43/h2-34H,1H3
InChIKeyROISRYXYGHERBQ-UHFFFAOYSA-N
XLogP13.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3-(4-methylphenyl)-10-naphthalen-2-yl-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 140765440
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene?
The IUPAC name of 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene (CID 58894843) is 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene.
What is the SMILES notation for 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene?
The canonical SMILES for 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene is Cc1ccc(-c2ccc(C3(c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc(-c5ccc6ccccc6c5)cc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene?
The InChIKey is ROISRYXYGHERBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-35-15-17-38(18-16-35)39-23-27-47(28-24-39)52(46-13-3-2-4-14-46)50-33-44(42-21-19-36-9-5-7-11-40(36)31-42)25-29-48(50)49-30-26-45(34-51(49)52)43-22-20-37-10-6-8-12-41(37)32-43/h2-34H,1H3.
What are the key properties of 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene?
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene has a molecular weight of 660.86 g/mol, XLogP of 13.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene is sourced from PubChem (CID 58894843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).