2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene

C76H62 — CID 58881037

IUPAC2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
SMILESCc1cc(C)c(-c2cccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cccc(-c%10cccc%11ccccc%10%11)c9)ccc7-8)ccc5-6)ccc3-4)c2)c(C)c1
InChIInChI=1S/C76H62/c1-45-35-46(2)73(47(3)36-45)58-20-13-18-50(38-58)52-24-30-62-64-32-26-54(42-70(64)75(6,7)68(62)40-52)56-28-34-66-65-33-27-55(43-71(65)76(8,9)72(66)44-56)53-25-31-63-61-29-23-51(39-67(61)74(4,5)69(63)41-53)49-17-12-19-57(37-49)60-22-14-16-48-15-10-11-21-59(48)60/h10-44H,1-9H3
InChIKeyLQIOCTUTAWESNX-UHFFFAOYSA-N
MW975.33 g/mol
LogP20.69
Rot. Bonds6

About 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene

2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 58881037) has the molecular formula C76H62 and a molecular weight of 975.33 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
PubChem CID58881037
Molecular FormulaC76H62
Molecular Weight975.33 g/mol
Exact Mass974.49
IUPAC Name2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
SMILESCc1cc(C)c(-c2cccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cccc(-c%10cccc%11ccccc%10%11)c9)ccc7-8)ccc5-6)ccc3-4)c2)c(C)c1
InChIInChI=1S/C76H62/c1-45-35-46(2)73(47(3)36-45)58-20-13-18-50(38-58)52-24-30-62-64-32-26-54(42-70(64)75(6,7)68(62)40-52)56-28-34-66-65-33-27-55(43-71(65)76(8,9)72(66)44-56)53-25-31-63-61-29-23-51(39-67(61)74(4,5)69(63)41-53)49-17-12-19-57(37-49)60-22-14-16-48-15-10-11-21-59(48)60/h10-44H,1-9H3
InChIKeyLQIOCTUTAWESNX-UHFFFAOYSA-N
XLogP20.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.33
LogP ≤ 520.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene with MolForge

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Related Compounds

9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
9,9-dimethyl-2-(2,4,6-trimethylphenyl)fluorene
CID 176635457
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9,10-dinaphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(3-phenanthren-1-ylphenyl)anthracene
CID 163960045
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 161365610
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene (CID 58881037) is 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene is Cc1cc(C)c(-c2cccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cccc(-c%10cccc%11ccccc%10%11)c9)ccc7-8)ccc5-6)ccc3-4)c2)c(C)c1.
What is the InChIKey of 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?
The InChIKey is LQIOCTUTAWESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62/c1-45-35-46(2)73(47(3)36-45)58-20-13-18-50(38-58)52-24-30-62-64-32-26-54(42-70(64)75(6,7)68(62)40-52)56-28-34-66-65-33-27-55(43-71(65)76(8,9)72(66)44-56)53-25-31-63-61-29-23-51(39-67(61)74(4,5)69(63)41-53)49-17-12-19-57(37-49)60-22-14-16-48-15-10-11-21-59(48)60/h10-44H,1-9H3.
What are the key properties of 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene?
2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 975.33 g/mol, XLogP of 20.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 58881037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).