2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene

C81H62 — CID 53384286

IUPAC2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(C)cc4)(c4ccc(C)cc4)c4cc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)ccc4-5)cc32)cc1
InChIInChI=1S/C81H62/c1-51-15-31-61(32-16-51)79(62-33-17-52(2)18-34-62)73-13-9-7-11-67(73)69-43-27-57(47-75(69)79)59-29-45-71-72-46-30-60(50-78(72)81(77(71)49-59,65-39-23-55(5)24-40-65)66-41-25-56(6)26-42-66)58-28-44-70-68-12-8-10-14-74(68)80(76(70)48-58,63-35-19-53(3)20-36-63)64-37-21-54(4)22-38-64/h7-50H,1-6H3
InChIKeyHFPKZKXVTHRNFZ-UHFFFAOYSA-N
MW1035.39 g/mol
LogP19.96
Rot. Bonds8

About 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene

2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene (PubChem CID 53384286) has the molecular formula C81H62 and a molecular weight of 1035.39 g/mol. Its IUPAC name is 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene.

Molecular Properties

Compound Name2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene
PubChem CID53384286
Molecular FormulaC81H62
Molecular Weight1035.39 g/mol
Exact Mass1034.49
IUPAC Name2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(C)cc4)(c4ccc(C)cc4)c4cc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)ccc4-5)cc32)cc1
InChIInChI=1S/C81H62/c1-51-15-31-61(32-16-51)79(62-33-17-52(2)18-34-62)73-13-9-7-11-67(73)69-43-27-57(47-75(69)79)59-29-45-71-72-46-30-60(50-78(72)81(77(71)49-59,65-39-23-55(5)24-40-65)66-41-25-56(6)26-42-66)58-28-44-70-68-12-8-10-14-74(68)80(76(70)48-58,63-35-19-53(3)20-36-63)64-37-21-54(4)22-38-64/h7-50H,1-6H3
InChIKeyHFPKZKXVTHRNFZ-UHFFFAOYSA-N
XLogP19.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.39
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene?
The IUPAC name of 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene (CID 53384286) is 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene.
What is the SMILES notation for 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene?
The canonical SMILES for 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(C)cc4)(c4ccc(C)cc4)c4cc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)ccc4-5)cc32)cc1.
What is the InChIKey of 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene?
The InChIKey is HFPKZKXVTHRNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H62/c1-51-15-31-61(32-16-51)79(62-33-17-52(2)18-34-62)73-13-9-7-11-67(73)69-43-27-57(47-75(69)79)59-29-45-71-72-46-30-60(50-78(72)81(77(71)49-59,65-39-23-55(5)24-40-65)66-41-25-56(6)26-42-66)58-28-44-70-68-12-8-10-14-74(68)80(76(70)48-58,63-35-19-53(3)20-36-63)64-37-21-54(4)22-38-64/h7-50H,1-6H3.
What are the key properties of 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene?
2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene has a molecular weight of 1035.39 g/mol, XLogP of 19.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene is sourced from PubChem (CID 53384286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).