9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene

C30H26O2 — CID 135250997

IUPAC9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
SMILESC=CCOCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H26O2/c1-2-20-31-21-22-32-25-18-16-24(17-19-25)30(23-10-4-3-5-11-23)28-14-8-6-12-26(28)27-13-7-9-15-29(27)30/h2-19H,1,20-22H2
InChIKeyLKENCFSOSZMINB-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.63
Rot. Bonds8

About 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene

9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene (PubChem CID 135250997) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene.

Molecular Properties

Compound Name9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
PubChem CID135250997
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
SMILESC=CCOCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H26O2/c1-2-20-31-21-22-32-25-18-16-24(17-19-25)30(23-10-4-3-5-11-23)28-14-8-6-12-26(28)27-13-7-9-15-29(27)30/h2-19H,1,20-22H2
InChIKeyLKENCFSOSZMINB-UHFFFAOYSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
CID 100914057
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
[2-methyl-3-[2-[4-[9-[4-[2-(2-methyl-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate
CID 59702756
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
N-(3,4-difluorophenyl)-9-[4-(2-ethoxyethoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 167020089
N-[4-[4-(N-[9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 146517121

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene?
The IUPAC name of 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene (CID 135250997) is 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene.
What is the SMILES notation for 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene?
The canonical SMILES for 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene is C=CCOCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene?
The InChIKey is LKENCFSOSZMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-2-20-31-21-22-32-25-18-16-24(17-19-25)30(23-10-4-3-5-11-23)28-14-8-6-12-26(28)27-13-7-9-15-29(27)30/h2-19H,1,20-22H2.
What are the key properties of 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene?
9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene has a molecular weight of 418.54 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene is sourced from PubChem (CID 135250997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).