9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene

C81H70 — CID 20822097

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
SMILESCCc1cc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cc(CC)c(CC)cc56)ccc3-4)c2cc1CC
InChIInChI=1S/C81H70/c1-11-47-39-65-67(41-49(47)13-3)77(63-27-17-15-25-61(63)75(65)51-31-35-57-55-23-19-21-29-69(55)79(5,6)71(57)43-51)53-33-37-59-60-38-34-54(46-74(60)81(9,10)73(59)45-53)78-64-28-18-16-26-62(64)76(66-40-48(12-2)50(14-4)42-68(66)78)52-32-36-58-56-24-20-22-30-70(56)80(7,8)72(58)44-52/h15-46H,11-14H2,1-10H3
InChIKeyCDEIAGWZQIZFMX-UHFFFAOYSA-N
MW1043.45 g/mol
LogP22.14
Rot. Bonds8

About 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene (PubChem CID 20822097) has the molecular formula C81H70 and a molecular weight of 1043.45 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
PubChem CID20822097
Molecular FormulaC81H70
Molecular Weight1043.45 g/mol
Exact Mass1042.55
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
SMILESCCc1cc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cc(CC)c(CC)cc56)ccc3-4)c2cc1CC
InChIInChI=1S/C81H70/c1-11-47-39-65-67(41-49(47)13-3)77(63-27-17-15-25-61(63)75(65)51-31-35-57-55-23-19-21-29-69(55)79(5,6)71(57)43-51)53-33-37-59-60-38-34-54(46-74(60)81(9,10)73(59)45-53)78-64-28-18-16-26-62(64)76(66-40-48(12-2)50(14-4)42-68(66)78)52-32-36-58-56-24-20-22-30-70(56)80(7,8)72(58)44-52/h15-46H,11-14H2,1-10H3
InChIKeyCDEIAGWZQIZFMX-UHFFFAOYSA-N
XLogP22.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.45
LogP ≤ 522.14
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

9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene (CID 20822097) is 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene is CCc1cc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cc(CC)c(CC)cc56)ccc3-4)c2cc1CC.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene?
The InChIKey is CDEIAGWZQIZFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H70/c1-11-47-39-65-67(41-49(47)13-3)77(63-27-17-15-25-61(63)75(65)51-31-35-57-55-23-19-21-29-69(55)79(5,6)71(57)43-51)53-33-37-59-60-38-34-54(46-74(60)81(9,10)73(59)45-53)78-64-28-18-16-26-62(64)76(66-40-48(12-2)50(14-4)42-68(66)78)52-32-36-58-56-24-20-22-30-70(56)80(7,8)72(58)44-52/h15-46H,11-14H2,1-10H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene?
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene has a molecular weight of 1043.45 g/mol, XLogP of 22.14, 8 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-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene is sourced from PubChem (CID 20822097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).