1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene

C71H58 — CID 123352442

IUPAC1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene
SMILESCc1ccc(-c2cc3ccc(-c4cc5cc(-c6ccc7ccc8cc(CC(C)C)cc9ccc6c7c89)ccc5cc4-c4ccc(C)c(C)c4)cc3cc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C
InChIInChI=1S/C71H58/c1-41(2)29-46-32-55-22-17-47-23-26-59(62-28-25-56(33-46)69(55)70(47)62)52-20-18-48-36-63(50-15-13-42(3)44(5)30-50)65(38-57(48)34-52)53-21-19-49-37-64(51-16-14-43(4)45(6)31-51)66(39-58(49)35-53)54-24-27-61-60-11-9-10-12-67(60)71(7,8)68(61)40-54/h9-28,30-41H,29H2,1-8H3
InChIKeyLJWODMUXELLMFI-UHFFFAOYSA-N
MW911.25 g/mol
LogP19.96
Rot. Bonds7

About 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene

1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene (PubChem CID 123352442) has the molecular formula C71H58 and a molecular weight of 911.25 g/mol. Its IUPAC name is 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene.

Molecular Properties

Compound Name1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene
PubChem CID123352442
Molecular FormulaC71H58
Molecular Weight911.25 g/mol
Exact Mass910.45
IUPAC Name1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene
SMILESCc1ccc(-c2cc3ccc(-c4cc5cc(-c6ccc7ccc8cc(CC(C)C)cc9ccc6c7c89)ccc5cc4-c4ccc(C)c(C)c4)cc3cc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C
InChIInChI=1S/C71H58/c1-41(2)29-46-32-55-22-17-47-23-26-59(62-28-25-56(33-46)69(55)70(47)62)52-20-18-48-36-63(50-15-13-42(3)44(5)30-50)65(38-57(48)34-52)53-21-19-49-37-64(51-16-14-43(4)45(6)31-51)66(39-58(49)35-53)54-24-27-61-60-11-9-10-12-67(60)71(7,8)68(61)40-54/h9-28,30-41H,29H2,1-8H3
InChIKeyLJWODMUXELLMFI-UHFFFAOYSA-N
XLogP19.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.25
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-7-(2-methylpropyl)pyrene
CID 59254091
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
CID 91155116
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
1,6-bis(9,9-dimethylfluoren-2-yl)-3-phenanthren-2-ylpyrene
CID 123865198
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
CID 159712751
4-[2-[9-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2-[7-(2-methylpropyl)pyren-1-yl]fluoren-9-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
CID 90394301

Frequently Asked Questions

What is the IUPAC name of 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene?
The IUPAC name of 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene (CID 123352442) is 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene.
What is the SMILES notation for 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene?
The canonical SMILES for 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene is Cc1ccc(-c2cc3ccc(-c4cc5cc(-c6ccc7ccc8cc(CC(C)C)cc9ccc6c7c89)ccc5cc4-c4ccc(C)c(C)c4)cc3cc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1C.
What is the InChIKey of 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene?
The InChIKey is LJWODMUXELLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H58/c1-41(2)29-46-32-55-22-17-47-23-26-59(62-28-25-56(33-46)69(55)70(47)62)52-20-18-48-36-63(50-15-13-42(3)44(5)30-50)65(38-57(48)34-52)53-21-19-49-37-64(51-16-14-43(4)45(6)31-51)66(39-58(49)35-53)54-24-27-61-60-11-9-10-12-67(60)71(7,8)68(61)40-54/h9-28,30-41H,29H2,1-8H3.
What are the key properties of 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene?
1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene has a molecular weight of 911.25 g/mol, XLogP of 19.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[7-(9,9-dimethylfluoren-2-yl)-6-(3,4-dimethylphenyl)naphthalen-2-yl]-6-(3,4-dimethylphenyl)naphthalen-2-yl]-7-(2-methylpropyl)pyrene is sourced from PubChem (CID 123352442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).