9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene

C43H36 — CID 91416934

IUPAC9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21
InChIInChI=1S/C43H36/c1-3-25-43(26-4-2)39-20-12-11-15-33(39)34-24-23-32(28-40(34)43)42-37-18-9-7-16-35(37)41(36-17-8-10-19-38(36)42)31-22-21-29-13-5-6-14-30(29)27-31/h5-24,27-28H,3-4,25-26H2,1-2H3
InChIKeyIRERIUKKTIARNI-UHFFFAOYSA-N
MW552.76 g/mol
LogP12.35
Rot. Bonds6

About 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene

9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene (PubChem CID 91416934) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
PubChem CID91416934
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21
InChIInChI=1S/C43H36/c1-3-25-43(26-4-2)39-20-12-11-15-33(39)34-24-23-32(28-40(34)43)42-37-18-9-7-16-35(37)41(36-17-8-10-19-38(36)42)31-22-21-29-13-5-6-14-30(29)27-31/h5-24,27-28H,3-4,25-26H2,1-2H3
InChIKeyIRERIUKKTIARNI-UHFFFAOYSA-N
XLogP12.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 512.35
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-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
CID 20822027
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
9-(9,9-dipropylfluoren-2-yl)-10-[10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822005
9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene
CID 58782779
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
CID 168837036
2-phenyl-9,9-dipropylfluorene
CID 154114384
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-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene (CID 91416934) is 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene is CCCC1(CCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene?
The InChIKey is IRERIUKKTIARNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-3-25-43(26-4-2)39-20-12-11-15-33(39)34-24-23-32(28-40(34)43)42-37-18-9-7-16-35(37)41(36-17-8-10-19-38(36)42)31-22-21-29-13-5-6-14-30(29)27-31/h5-24,27-28H,3-4,25-26H2,1-2H3.
What are the key properties of 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene?
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene has a molecular weight of 552.76 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 91416934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).