9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene

C73H58 — CID 58782779

IUPAC9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(c4ccccc4)c4cc(-c6ccc7c(c6)C(C)(c6ccccc6)c6ccccc6-7)ccc4-5)c4ccccc34)cc21
InChIInChI=1S/C73H58/c1-5-41-73(42-6-2)64-32-20-18-26-54(64)58-40-36-50(46-68(58)73)70-61-29-15-13-27-59(61)69(60-28-14-16-30-62(60)70)49-35-39-57-56-38-34-48(44-66(56)72(4,67(57)45-49)52-23-11-8-12-24-52)47-33-37-55-53-25-17-19-31-63(53)71(3,65(55)43-47)51-21-9-7-10-22-51/h7-40,43-46H,5-6,41-42H2,1-4H3
InChIKeyKCFMTBCSNBUOHE-UHFFFAOYSA-N
MW935.27 g/mol
LogP19.53
Rot. Bonds9

About 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene

9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene (PubChem CID 58782779) has the molecular formula C73H58 and a molecular weight of 935.27 g/mol. Its IUPAC name is 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene.

Molecular Properties

Compound Name9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene
PubChem CID58782779
Molecular FormulaC73H58
Molecular Weight935.27 g/mol
Exact Mass934.45
IUPAC Name9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(c4ccccc4)c4cc(-c6ccc7c(c6)C(C)(c6ccccc6)c6ccccc6-7)ccc4-5)c4ccccc34)cc21
InChIInChI=1S/C73H58/c1-5-41-73(42-6-2)64-32-20-18-26-54(64)58-40-36-50(46-68(58)73)70-61-29-15-13-27-59(61)69(60-28-14-16-30-62(60)70)49-35-39-57-56-38-34-48(44-66(56)72(4,67(57)45-49)52-23-11-8-12-24-52)47-33-37-55-53-25-17-19-31-63(53)71(3,65(55)43-47)51-21-9-7-10-22-51/h7-40,43-46H,5-6,41-42H2,1-4H3
InChIKeyKCFMTBCSNBUOHE-UHFFFAOYSA-N
XLogP19.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.27
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-dipropylfluoren-2-yl)-10-naphthalen-2-ylanthracene
CID 91416934
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
2-phenyl-9,9-dipropylfluorene
CID 154114384
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 157142907
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene
CID 140843551
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
12,26-dimethyl-2,12,16,26-tetraphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
CID 58142476

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene?
The IUPAC name of 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene (CID 58782779) is 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene.
What is the SMILES notation for 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene?
The canonical SMILES for 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene is CCCC1(CCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(c4ccccc4)c4cc(-c6ccc7c(c6)C(C)(c6ccccc6)c6ccccc6-7)ccc4-5)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene?
The InChIKey is KCFMTBCSNBUOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58/c1-5-41-73(42-6-2)64-32-20-18-26-54(64)58-40-36-50(46-68(58)73)70-61-29-15-13-27-59(61)69(60-28-14-16-30-62(60)70)49-35-39-57-56-38-34-48(44-66(56)72(4,67(57)45-49)52-23-11-8-12-24-52)47-33-37-55-53-25-17-19-31-63(53)71(3,65(55)43-47)51-21-9-7-10-22-51/h7-40,43-46H,5-6,41-42H2,1-4H3.
What are the key properties of 9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene?
9-(9,9-dipropylfluoren-2-yl)-10-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene has a molecular weight of 935.27 g/mol, XLogP of 19.53, 9 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-[9-methyl-7-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-yl]anthracene is sourced from PubChem (CID 58782779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).