4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol

C50H38O — CID 154533323

IUPAC4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(O)cc6)c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C50H38O/c1-49(2)43-16-10-9-11-35(43)36-24-19-31(27-44(36)49)32-20-25-37-38-26-21-33(29-46(38)50(3,4)45(37)28-32)48-41-14-7-5-12-39(41)47(30-17-22-34(51)23-18-30)40-13-6-8-15-42(40)48/h5-29,51H,1-4H3
InChIKeyQFLPMPBSCHMRLF-UHFFFAOYSA-N
MW654.85 g/mol
LogP13.31
Rot. Bonds3

About 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol

4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol (PubChem CID 154533323) has the molecular formula C50H38O and a molecular weight of 654.85 g/mol. Its IUPAC name is 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol.

Molecular Properties

Compound Name4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
PubChem CID154533323
Molecular FormulaC50H38O
Molecular Weight654.85 g/mol
Exact Mass654.29
IUPAC Name4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(O)cc6)c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C50H38O/c1-49(2)43-16-10-9-11-35(43)36-24-19-31(27-44(36)49)32-20-25-37-38-26-21-33(29-46(38)50(3,4)45(37)28-32)48-41-14-7-5-12-39(41)47(30-17-22-34(51)23-18-30)40-13-6-8-15-42(40)48/h5-29,51H,1-4H3
InChIKeyQFLPMPBSCHMRLF-UHFFFAOYSA-N
XLogP13.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.85
LogP ≤ 513.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293

Frequently Asked Questions

What is the IUPAC name of 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol?
The IUPAC name of 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol (CID 154533323) is 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol.
What is the SMILES notation for 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol?
The canonical SMILES for 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc(O)cc6)c6ccccc56)ccc3-4)cc21.
What is the InChIKey of 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol?
The InChIKey is QFLPMPBSCHMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38O/c1-49(2)43-16-10-9-11-35(43)36-24-19-31(27-44(36)49)32-20-25-37-38-26-21-33(29-46(38)50(3,4)45(37)28-32)48-41-14-7-5-12-39(41)47(30-17-22-34(51)23-18-30)40-13-6-8-15-42(40)48/h5-29,51H,1-4H3.
What are the key properties of 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol?
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol has a molecular weight of 654.85 g/mol, XLogP of 13.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol is sourced from PubChem (CID 154533323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).