9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene

C41H30 — CID 58782801

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc21
InChIInChI=1S/C41H30/c1-41(2)37-22-11-10-17-31(37)32-24-23-30(26-38(32)41)40-35-20-8-6-18-33(35)39(34-19-7-9-21-36(34)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27/h3-26H,1-2H3
InChIKeyCLKKYWHEFTWRCI-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.30
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene

9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene (PubChem CID 58782801) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
PubChem CID58782801
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc21
InChIInChI=1S/C41H30/c1-41(2)37-22-11-10-17-31(37)32-24-23-30(26-38(32)41)40-35-20-8-6-18-33(35)39(34-19-7-9-21-36(34)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27/h3-26H,1-2H3
InChIKeyCLKKYWHEFTWRCI-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[3-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 158896768
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene (CID 58782801) is 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene?
The InChIKey is CLKKYWHEFTWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-41(2)37-22-11-10-17-31(37)32-24-23-30(26-38(32)41)40-35-20-8-6-18-33(35)39(34-19-7-9-21-36(34)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27/h3-26H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene?
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene has a molecular weight of 522.69 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 58782801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).