9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene

C68H54 — CID 20822196

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
SMILESCc1cc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cc(C)c(C)cc56)ccc3-4)c2cc1C
InChIInChI=1S/C68H54/c1-39-32-55-56(33-40(39)2)64(52-22-13-12-21-51(52)63(55)43-18-10-9-11-19-43)45-27-30-49-50-31-28-46(38-62(50)68(7,8)61(49)37-45)66-54-24-15-14-23-53(54)65(57-34-41(3)42(4)35-58(57)66)44-26-29-48-47-20-16-17-25-59(47)67(5,6)60(48)36-44/h9-38H,1-8H3
InChIKeySPSCMAHCSGAECM-UHFFFAOYSA-N
MW871.18 g/mol
LogP18.81
Rot. Bonds4

About 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene (PubChem CID 20822196) has the molecular formula C68H54 and a molecular weight of 871.18 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
PubChem CID20822196
Molecular FormulaC68H54
Molecular Weight871.18 g/mol
Exact Mass870.42
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
SMILESCc1cc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cc(C)c(C)cc56)ccc3-4)c2cc1C
InChIInChI=1S/C68H54/c1-39-32-55-56(33-40(39)2)64(52-22-13-12-21-51(52)63(55)43-18-10-9-11-19-43)45-27-30-49-50-31-28-46(38-62(50)68(7,8)61(49)37-45)66-54-24-15-14-23-53(54)65(57-34-41(3)42(4)35-58(57)66)44-26-29-48-47-20-16-17-25-59(47)67(5,6)60(48)36-44/h9-38H,1-8H3
InChIKeySPSCMAHCSGAECM-UHFFFAOYSA-N
XLogP18.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.18
LogP ≤ 518.81
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-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene
CID 20822083
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene?
The IUPAC name of 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) is 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene is Cc1cc2c(-c3ccccc3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cc(C)c(C)cc56)ccc3-4)c2cc1C.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene?
The InChIKey is SPSCMAHCSGAECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54/c1-39-32-55-56(33-40(39)2)64(52-22-13-12-21-51(52)63(55)43-18-10-9-11-19-43)45-27-30-49-50-31-28-46(38-62(50)68(7,8)61(49)37-45)66-54-24-15-14-23-53(54)65(57-34-41(3)42(4)35-58(57)66)44-26-29-48-47-20-16-17-25-59(47)67(5,6)60(48)36-44/h9-38H,1-8H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene?
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene has a molecular weight of 871.18 g/mol, XLogP of 18.81, 4 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-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene is sourced from PubChem (CID 20822196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).