tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)

C246H168 — CID 159354982

IUPACtris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/6C41H28/c3*1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;3*1-41(2)37-23-31(30-13-10-25-6-3-4-7-29(25)22-30)16-19-34(37)35-20-17-32(24-38(35)41)33-18-14-28-12-11-26-8-5-9-27-15-21-36(33)40(28)39(26)27/h6*3-24H,1-2H3
InChIKeyLHUQOEFTBYMWFU-UHFFFAOYSA-N
MW3124.05 g/mol
LogP68.26
Rot. Bonds12

About tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)

tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene) (PubChem CID 159354982) has the molecular formula C246H168 and a molecular weight of 3124.05 g/mol. Its IUPAC name is tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene).

Molecular Properties

Compound Nametris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
PubChem CID159354982
Molecular FormulaC246H168
Molecular Weight3124.05 g/mol
Exact Mass3121.31
IUPAC Nametris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/6C41H28/c3*1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;3*1-41(2)37-23-31(30-13-10-25-6-3-4-7-29(25)22-30)16-19-34(37)35-20-17-32(24-38(35)41)33-18-14-28-12-11-26-8-5-9-27-15-21-36(33)40(28)39(26)27/h6*3-24H,1-2H3
InChIKeyLHUQOEFTBYMWFU-UHFFFAOYSA-N
XLogP68.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms246
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003124.05
LogP ≤ 568.26
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

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-[3-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]phenyl]pyrene;1-[9,9-dimethyl-7-(3-naphthalen-2-yl-5-phenylphenyl)fluoren-2-yl]pyrene;1-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]pyrene;1-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]pyrene;1-(4-naphthalen-2-ylnaphthalen-1-yl)pyrene;1-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)pyrene;1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 160669115
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
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
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene
CID 161018965
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858

Frequently Asked Questions

What is the IUPAC name of tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)?
The IUPAC name of 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) is tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene).
What is the SMILES notation for tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)?
The canonical SMILES for tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene) is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.
What is the InChIKey of tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)?
The InChIKey is LHUQOEFTBYMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C41H28/c3*1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;3*1-41(2)37-23-31(30-13-10-25-6-3-4-7-29(25)22-30)16-19-34(37)35-20-17-32(24-38(35)41)33-18-14-28-12-11-26-8-5-9-27-15-21-36(33)40(28)39(26)27/h6*3-24H,1-2H3.
What are the key properties of tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)?
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene) has a molecular weight of 3124.05 g/mol, XLogP of 68.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene) is sourced from PubChem (CID 159354982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).