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

C57H40 — CID 164833806

IUPAC2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H40/c1-2-8-38(9-3-1)39-14-16-40(17-15-39)41-18-24-44(25-19-41)57(45-26-20-42(21-27-45)47-30-32-55-51(34-47)36-49-10-4-6-12-53(49)55)46-28-22-43(23-29-46)48-31-33-56-52(35-48)37-50-11-5-7-13-54(50)56/h1-35,57H,36-37H2
InChIKeyFSGSFKJFZZNMAP-UHFFFAOYSA-N
MW724.95 g/mol
LogP14.68
Rot. Bonds7

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

2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene (PubChem CID 164833806) has the molecular formula C57H40 and a molecular weight of 724.95 g/mol. Its IUPAC name is 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene.

Molecular Properties

Compound Name2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
PubChem CID164833806
Molecular FormulaC57H40
Molecular Weight724.95 g/mol
Exact Mass724.31
IUPAC Name2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H40/c1-2-8-38(9-3-1)39-14-16-40(17-15-39)41-18-24-44(25-19-41)57(45-26-20-42(21-27-45)47-30-32-55-51(34-47)36-49-10-4-6-12-53(49)55)46-28-22-43(23-29-46)48-31-33-56-52(35-48)37-50-11-5-7-13-54(50)56/h1-35,57H,36-37H2
InChIKeyFSGSFKJFZZNMAP-UHFFFAOYSA-N
XLogP14.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 142614829
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
5-(9H-fluoren-2-yl)-2-[5-(9H-fluoren-2-yl)-2-pyridinyl]pyridine
CID 86049037
4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline
CID 71318023
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene?
The IUPAC name of 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene (CID 164833806) is 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene.
What is the SMILES notation for 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene?
The canonical SMILES for 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene is c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene?
The InChIKey is FSGSFKJFZZNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40/c1-2-8-38(9-3-1)39-14-16-40(17-15-39)41-18-24-44(25-19-41)57(45-26-20-42(21-27-45)47-30-32-55-51(34-47)36-49-10-4-6-12-53(49)55)46-28-22-43(23-29-46)48-31-33-56-52(35-48)37-50-11-5-7-13-54(50)56/h1-35,57H,36-37H2.
What are the key properties of 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene?
2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene has a molecular weight of 724.95 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene is sourced from PubChem (CID 164833806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).