9,9-bis(4-methoxyphenyl)fluorene;ethane

C31H34O2 — CID 159536685

IUPAC9,9-bis(4-methoxyphenyl)fluorene;ethane
SMILESCC.CC.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22O2.2C2H6/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;2*1-2/h3-18H,1-2H3;2*1-2H3
InChIKeyMDRKQHNLQMMQDR-UHFFFAOYSA-N
MW438.61 g/mol
LogP8.12
Rot. Bonds4

About 9,9-bis(4-methoxyphenyl)fluorene;ethane

9,9-bis(4-methoxyphenyl)fluorene;ethane (PubChem CID 159536685) has the molecular formula C31H34O2 and a molecular weight of 438.61 g/mol. Its IUPAC name is 9,9-bis(4-methoxyphenyl)fluorene;ethane.

Molecular Properties

Compound Name9,9-bis(4-methoxyphenyl)fluorene;ethane
PubChem CID159536685
Molecular FormulaC31H34O2
Molecular Weight438.61 g/mol
Exact Mass438.26
IUPAC Name9,9-bis(4-methoxyphenyl)fluorene;ethane
SMILESCC.CC.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22O2.2C2H6/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;2*1-2/h3-18H,1-2H3;2*1-2H3
InChIKeyMDRKQHNLQMMQDR-UHFFFAOYSA-N
XLogP8.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
CID 132569394
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
9,9-diphenylfluorene;methoxymethane
CID 143139467
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methoxyphenyl)fluorene;ethane?
The IUPAC name of 9,9-bis(4-methoxyphenyl)fluorene;ethane (CID 159536685) is 9,9-bis(4-methoxyphenyl)fluorene;ethane.
What is the SMILES notation for 9,9-bis(4-methoxyphenyl)fluorene;ethane?
The canonical SMILES for 9,9-bis(4-methoxyphenyl)fluorene;ethane is CC.CC.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis(4-methoxyphenyl)fluorene;ethane?
The InChIKey is MDRKQHNLQMMQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2.2C2H6/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;2*1-2/h3-18H,1-2H3;2*1-2H3.
What are the key properties of 9,9-bis(4-methoxyphenyl)fluorene;ethane?
9,9-bis(4-methoxyphenyl)fluorene;ethane has a molecular weight of 438.61 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methoxyphenyl)fluorene;ethane is sourced from PubChem (CID 159536685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).