2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene

C45H30 — CID 11330576

IUPAC2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene
SMILESc1ccc2c(c1)Cc1cc(-c3cc(-c4ccc5c(c4)Cc4ccccc4-5)cc(-c4ccc5c(c4)Cc4ccccc4-5)c3)ccc1-2
InChIInChI=1S/C45H30/c1-4-10-40-31(7-1)22-37-19-28(13-16-43(37)40)34-25-35(29-14-17-44-38(20-29)23-32-8-2-5-11-41(32)44)27-36(26-34)30-15-18-45-39(21-30)24-33-9-3-6-12-42(33)45/h1-21,25-27H,22-24H2
InChIKeyMCXLVOSJATVWFK-UHFFFAOYSA-N
MW570.74 g/mol
LogP11.40
Rot. Bonds3

About 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene

2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene (PubChem CID 11330576) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene
PubChem CID11330576
Molecular FormulaC45H30
Molecular Weight570.74 g/mol
Exact Mass570.23
IUPAC Name2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene
SMILESc1ccc2c(c1)Cc1cc(-c3cc(-c4ccc5c(c4)Cc4ccccc4-5)cc(-c4ccc5c(c4)Cc4ccccc4-5)c3)ccc1-2
InChIInChI=1S/C45H30/c1-4-10-40-31(7-1)22-37-19-28(13-16-43(37)40)34-25-35(29-14-17-44-38(20-29)23-32-8-2-5-11-41(32)44)27-36(26-34)30-15-18-45-39(21-30)24-33-9-3-6-12-42(33)45/h1-21,25-27H,22-24H2
InChIKeyMCXLVOSJATVWFK-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene?
The IUPAC name of 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene (CID 11330576) is 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene.
What is the SMILES notation for 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene?
The canonical SMILES for 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene is c1ccc2c(c1)Cc1cc(-c3cc(-c4ccc5c(c4)Cc4ccccc4-5)cc(-c4ccc5c(c4)Cc4ccccc4-5)c3)ccc1-2.
What is the InChIKey of 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene?
The InChIKey is MCXLVOSJATVWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-4-10-40-31(7-1)22-37-19-28(13-16-43(37)40)34-25-35(29-14-17-44-38(20-29)23-32-8-2-5-11-41(32)44)27-36(26-34)30-15-18-45-39(21-30)24-33-9-3-6-12-42(33)45/h1-21,25-27H,22-24H2.
What are the key properties of 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene?
2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene has a molecular weight of 570.74 g/mol, XLogP of 11.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(9H-fluoren-2-yl)phenyl]-9H-fluorene is sourced from PubChem (CID 11330576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).