9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene

C83H62O6 — CID 102336204

IUPAC9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(OCc2cc(OCc3cccc4ccccc34)cc(OCc3cccc4ccccc34)c2)cc1)c1ccc(OCc2cc(OCc3cccc4ccccc34)cc(OCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C83H62O6/c1-5-29-75-59(17-1)21-13-25-63(75)53-86-71-45-57(46-72(49-71)87-54-64-26-14-22-60-18-2-6-30-76(60)64)51-84-69-41-37-67(38-42-69)83(81-35-11-9-33-79(81)80-34-10-12-36-82(80)83)68-39-43-70(44-40-68)85-52-58-47-73(88-55-65-27-15-23-61-19-3-7-31-77(61)65)50-74(48-58)89-56-66-28-16-24-62-20-4-8-32-78(62)66/h1-50H,51-56H2
InChIKeyOMUVQWDHOKYINU-UHFFFAOYSA-N
MW1155.40 g/mol
LogP20.14
Rot. Bonds20

About 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene

9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene (PubChem CID 102336204) has the molecular formula C83H62O6 and a molecular weight of 1155.40 g/mol. Its IUPAC name is 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene
PubChem CID102336204
Molecular FormulaC83H62O6
Molecular Weight1155.40 g/mol
Exact Mass1154.45
IUPAC Name9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(OCc2cc(OCc3cccc4ccccc34)cc(OCc3cccc4ccccc34)c2)cc1)c1ccc(OCc2cc(OCc3cccc4ccccc34)cc(OCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C83H62O6/c1-5-29-75-59(17-1)21-13-25-63(75)53-86-71-45-57(46-72(49-71)87-54-64-26-14-22-60-18-2-6-30-76(60)64)51-84-69-41-37-67(38-42-69)83(81-35-11-9-33-79(81)80-34-10-12-36-82(80)83)68-39-43-70(44-40-68)85-52-58-47-73(88-55-65-27-15-23-61-19-3-7-31-77(61)65)50-74(48-58)89-56-66-28-16-24-62-20-4-8-32-78(62)66/h1-50H,51-56H2
InChIKeyOMUVQWDHOKYINU-UHFFFAOYSA-N
XLogP20.14
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.40
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene with MolForge

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Related Compounds

4-[9-[4-[[6-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]methoxy]phenyl]fluoren-9-yl]phenol;4-[9-[4-[[4-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]phenyl]methoxy]phenyl]fluoren-9-yl]phenol;methane
CID 161011304
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
4-(naphthalen-1-ylmethoxy)-N-phenylaniline
CID 145256438
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
CID 139970952
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126124121

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene?
The IUPAC name of 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene (CID 102336204) is 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene is c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCc2cc(OCc3cccc4ccccc34)cc(OCc3cccc4ccccc34)c2)cc1)c1ccc(OCc2cc(OCc3cccc4ccccc34)cc(OCc3cccc4ccccc34)c2)cc1.
What is the InChIKey of 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene?
The InChIKey is OMUVQWDHOKYINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H62O6/c1-5-29-75-59(17-1)21-13-25-63(75)53-86-71-45-57(46-72(49-71)87-54-64-26-14-22-60-18-2-6-30-76(60)64)51-84-69-41-37-67(38-42-69)83(81-35-11-9-33-79(81)80-34-10-12-36-82(80)83)68-39-43-70(44-40-68)85-52-58-47-73(88-55-65-27-15-23-61-19-3-7-31-77(61)65)50-74(48-58)89-56-66-28-16-24-62-20-4-8-32-78(62)66/h1-50H,51-56H2.
What are the key properties of 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene?
9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene has a molecular weight of 1155.40 g/mol, XLogP of 20.14, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-[[3,5-bis(naphthalen-1-ylmethoxy)phenyl]methoxy]phenyl]fluorene is sourced from PubChem (CID 102336204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).