1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene

C60H38 — CID 143594233

IUPAC1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene
SMILESCC1(C)c2cc(-c3ccc4c(c3)Cc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3-4)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C60H38/c1-60(2)54-32-41(18-25-50(54)51-26-20-43(33-55(51)60)47-22-14-39-12-10-35-6-4-8-37-16-28-53(47)59(39)57(35)37)40-17-23-48-44(29-40)31-45-30-42(19-24-49(45)48)46-21-13-38-11-9-34-5-3-7-36-15-27-52(46)58(38)56(34)36/h3-30,32-33H,31H2,1-2H3
InChIKeyFVWMNMXDMRQICQ-UHFFFAOYSA-N
MW758.96 g/mol
LogP16.36
Rot. Bonds3

About 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene

1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene (PubChem CID 143594233) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene.

Molecular Properties

Compound Name1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene
PubChem CID143594233
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene
SMILESCC1(C)c2cc(-c3ccc4c(c3)Cc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3-4)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C60H38/c1-60(2)54-32-41(18-25-50(54)51-26-20-43(33-55(51)60)47-22-14-39-12-10-35-6-4-8-37-16-28-53(47)59(39)57(35)37)40-17-23-48-44(29-40)31-45-30-42(19-24-49(45)48)46-21-13-38-11-9-34-5-3-7-36-15-27-52(46)58(38)56(34)36/h3-30,32-33H,31H2,1-2H3
InChIKeyFVWMNMXDMRQICQ-UHFFFAOYSA-N
XLogP16.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 516.36
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-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
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-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
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
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
CID 143920877
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
2',7'-bis(5-pyren-1-ylnaphthalen-1-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];1-[5-[9,9-dimethyl-7-(5-pyren-1-ylnaphthalen-1-yl)fluoren-2-yl]naphthalen-1-yl]pyrene;1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene;1-[9,9-dimethyl-7-(6-pyren-1-ylpyren-1-yl)fluoren-2-yl]-6-pyren-1-ylpyrene
CID 159982983
3-[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]benzo[e]pyrene
CID 123750058

Frequently Asked Questions

What is the IUPAC name of 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene?
The IUPAC name of 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene (CID 143594233) is 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene.
What is the SMILES notation for 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene?
The canonical SMILES for 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene is CC1(C)c2cc(-c3ccc4c(c3)Cc3cc(-c5ccc6ccc7cccc8ccc5c6c78)ccc3-4)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.
What is the InChIKey of 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene?
The InChIKey is FVWMNMXDMRQICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-60(2)54-32-41(18-25-50(54)51-26-20-43(33-55(51)60)47-22-14-39-12-10-35-6-4-8-37-16-28-53(47)59(39)57(35)37)40-17-23-48-44(29-40)31-45-30-42(19-24-49(45)48)46-21-13-38-11-9-34-5-3-7-36-15-27-52(46)58(38)56(34)36/h3-30,32-33H,31H2,1-2H3.
What are the key properties of 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene?
1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene has a molecular weight of 758.96 g/mol, XLogP of 16.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene is sourced from PubChem (CID 143594233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).