3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene

C51H34 — CID 58323064

IUPAC3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21
InChIInChI=1S/C51H34/c1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(45-29-32(23-26-44(45)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42/h3-30H,1-2H3
InChIKeyRNJPPZNPGIWDQT-UHFFFAOYSA-N
MW646.83 g/mol
LogP14.10
Rot. Bonds3

About 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene

3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene (PubChem CID 58323064) has the molecular formula C51H34 and a molecular weight of 646.83 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
PubChem CID58323064
Molecular FormulaC51H34
Molecular Weight646.83 g/mol
Exact Mass646.27
IUPAC Name3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21
InChIInChI=1S/C51H34/c1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(45-29-32(23-26-44(45)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42/h3-30H,1-2H3
InChIKeyRNJPPZNPGIWDQT-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 514.10
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

10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
CID 158578384
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
21-fluoranthen-3-yl-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175506
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
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
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 160579929
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene (CID 58323064) is 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(-c5ccccc5)ccc34)cc21.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene?
The InChIKey is RNJPPZNPGIWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34/c1-51(2)46-22-11-10-17-36(46)37-25-24-33(30-47(37)51)48-39-18-8-9-19-40(39)50(45-29-32(23-26-44(45)48)31-13-4-3-5-14-31)43-28-27-42-35-16-7-6-15-34(35)38-20-12-21-41(43)49(38)42/h3-30H,1-2H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene?
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene has a molecular weight of 646.83 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene is sourced from PubChem (CID 58323064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).