3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene

C49H42 — CID 159430815

IUPAC3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene
SMILESCCCC1(CCC)c2cc(-c3cc(C)cc4cc5ccccc5cc34)ccc2-c2ccc(-c3cc(C)cc4cc5ccccc5cc34)cc21
InChIInChI=1S/C49H42/c1-5-19-49(20-6-2)47-29-37(43-23-31(3)21-39-25-33-11-7-9-13-35(33)27-45(39)43)15-17-41(47)42-18-16-38(30-48(42)49)44-24-32(4)22-40-26-34-12-8-10-14-36(34)28-46(40)44/h7-18,21-30H,5-6,19-20H2,1-4H3
InChIKeyOWMGLLZDFLADLZ-UHFFFAOYSA-N
MW630.88 g/mol
LogP14.12
Rot. Bonds6

About 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene

3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene (PubChem CID 159430815) has the molecular formula C49H42 and a molecular weight of 630.88 g/mol. Its IUPAC name is 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene
PubChem CID159430815
Molecular FormulaC49H42
Molecular Weight630.88 g/mol
Exact Mass630.33
IUPAC Name3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene
SMILESCCCC1(CCC)c2cc(-c3cc(C)cc4cc5ccccc5cc34)ccc2-c2ccc(-c3cc(C)cc4cc5ccccc5cc34)cc21
InChIInChI=1S/C49H42/c1-5-19-49(20-6-2)47-29-37(43-23-31(3)21-39-25-33-11-7-9-13-35(33)27-45(39)43)15-17-41(47)42-18-16-38(30-48(42)49)44-24-32(4)22-40-26-34-12-8-10-14-36(34)28-46(40)44/h7-18,21-30H,5-6,19-20H2,1-4H3
InChIKeyOWMGLLZDFLADLZ-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.88
LogP ≤ 514.12
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

2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9-(9,9-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
2-phenyl-9,9-dipropylfluorene
CID 154114384
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
2-[9,9-dihexyl-7-[5-(4-methylphenyl)thiophen-2-yl]fluoren-2-yl]-5-phenylthiophene
CID 132550965
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
CID 89442381
2-butyl-7-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene;2-(9,9-dipropylfluoren-2-yl)-7-[7-[3-[3-[3-[7-[7-(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]propyl]-5-methylphenyl]propyl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
CID 159560822
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
carbanide;2-(9,9-dihexylfluoren-2-yl)-4-methylphenol;titanium(3+)
CID 59270117
2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
CID 100964700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene?
The IUPAC name of 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene (CID 159430815) is 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene.
What is the SMILES notation for 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene?
The canonical SMILES for 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene is CCCC1(CCC)c2cc(-c3cc(C)cc4cc5ccccc5cc34)ccc2-c2ccc(-c3cc(C)cc4cc5ccccc5cc34)cc21.
What is the InChIKey of 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene?
The InChIKey is OWMGLLZDFLADLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42/c1-5-19-49(20-6-2)47-29-37(43-23-31(3)21-39-25-33-11-7-9-13-35(33)27-45(39)43)15-17-41(47)42-18-16-38(30-48(42)49)44-24-32(4)22-40-26-34-12-8-10-14-36(34)28-46(40)44/h7-18,21-30H,5-6,19-20H2,1-4H3.
What are the key properties of 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene?
3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene has a molecular weight of 630.88 g/mol, XLogP of 14.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[7-(3-methylanthracen-1-yl)-9,9-dipropylfluoren-2-yl]anthracene is sourced from PubChem (CID 159430815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).