1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene

C84H54 — CID 141308542

IUPAC1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C84H54/c1-7-25-55-49(19-1)43-73-61(55)31-13-37-67(73)79-80(68-38-14-32-62-56-26-8-2-20-50(56)44-74(62)68)82(70-40-16-34-64-58-28-10-4-22-52(58)46-76(64)70)84(72-42-18-36-66-60-30-12-6-24-54(60)48-78(66)72)83(71-41-17-35-65-59-29-11-5-23-53(59)47-77(65)71)81(79)69-39-15-33-63-57-27-9-3-21-51(57)45-75(63)69/h1-42H,43-48H2
InChIKeyHNMUDQXCBMGSOP-UHFFFAOYSA-N
MW1063.36 g/mol
LogP21.12
Rot. Bonds6

About 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene

1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene (PubChem CID 141308542) has the molecular formula C84H54 and a molecular weight of 1063.36 g/mol. Its IUPAC name is 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
PubChem CID141308542
Molecular FormulaC84H54
Molecular Weight1063.36 g/mol
Exact Mass1062.42
IUPAC Name1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C84H54/c1-7-25-55-49(19-1)43-73-61(55)31-13-37-67(73)79-80(68-38-14-32-62-56-26-8-2-20-50(56)44-74(62)68)82(70-40-16-34-64-58-28-10-4-22-52(58)46-76(64)70)84(72-42-18-36-66-60-30-12-6-24-54(60)48-78(66)72)83(71-41-17-35-65-59-29-11-5-23-53(59)47-77(65)71)81(79)69-39-15-33-63-57-27-9-3-21-51(57)45-75(63)69/h1-42H,43-48H2
InChIKeyHNMUDQXCBMGSOP-UHFFFAOYSA-N
XLogP21.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.36
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
CID 123562270
CID 123562270
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
Fluorenylsilane
CID 22104606
3-(9H-fluoren-1-yl)benzene-1,2-diamine
CID 66643080
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
bis(9H-fluoren-1-yl)mercury
CID 154196677
1-bromo-2-iodo-9H-fluorene
CID 69464063
1-(4-iodophenyl)-9H-fluorene
CID 154332097

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene?
The IUPAC name of 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene (CID 141308542) is 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene.
What is the SMILES notation for 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene?
The canonical SMILES for 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene is c1ccc2c(c1)Cc1c-2cccc1-c1c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene?
The InChIKey is HNMUDQXCBMGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54/c1-7-25-55-49(19-1)43-73-61(55)31-13-37-67(73)79-80(68-38-14-32-62-56-26-8-2-20-50(56)44-74(62)68)82(70-40-16-34-64-58-28-10-4-22-52(58)46-76(64)70)84(72-42-18-36-66-60-30-12-6-24-54(60)48-78(66)72)83(71-41-17-35-65-59-29-11-5-23-53(59)47-77(65)71)81(79)69-39-15-33-63-57-27-9-3-21-51(57)45-75(63)69/h1-42H,43-48H2.
What are the key properties of 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene?
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene has a molecular weight of 1063.36 g/mol, XLogP of 21.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene is sourced from PubChem (CID 141308542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).