9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]

C89H68O7 — CID 158360359

IUPAC9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc2c(c1)Oc1cc(OC)ccc1C21c2ccccc2-c2ccccc21.COc1ccc2cc(C3(c4ccc5cc(OC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C35H26O2.C27H20O3.C27H22O2/c1-36-29-17-13-23-19-27(15-11-25(23)21-29)35(28-16-12-26-22-30(37-2)18-14-24(26)20-28)33-9-5-3-7-31(33)32-8-4-6-10-34(32)35;1-28-17-11-13-23-25(15-17)30-26-16-18(29-2)12-14-24(26)27(23)21-9-5-3-7-19(21)20-8-4-6-10-22(20)27;1-28-21-15-11-19(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/h3-22H,1-2H3;3-16H,1-2H3;3-18H,1-2H3
InChIKeyGTJVEWXPDDMGIU-UHFFFAOYSA-N
MW1249.52 g/mol
LogP20.61
Rot. Bonds10

About 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]

9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene] (PubChem CID 158360359) has the molecular formula C89H68O7 and a molecular weight of 1249.52 g/mol. Its IUPAC name is 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
PubChem CID158360359
Molecular FormulaC89H68O7
Molecular Weight1249.52 g/mol
Exact Mass1248.50
IUPAC Name9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc2c(c1)Oc1cc(OC)ccc1C21c2ccccc2-c2ccccc21.COc1ccc2cc(C3(c4ccc5cc(OC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C35H26O2.C27H20O3.C27H22O2/c1-36-29-17-13-23-19-27(15-11-25(23)21-29)35(28-16-12-26-22-30(37-2)18-14-24(26)20-28)33-9-5-3-7-31(33)32-8-4-6-10-34(32)35;1-28-17-11-13-23-25(15-17)30-26-16-18(29-2)12-14-24(26)27(23)21-9-5-3-7-19(21)20-8-4-6-10-22(20)27;1-28-21-15-11-19(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/h3-22H,1-2H3;3-16H,1-2H3;3-18H,1-2H3
InChIKeyGTJVEWXPDDMGIU-UHFFFAOYSA-N
XLogP20.61
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.52
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

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(4-methoxyphenyl)fluorene;ethane
CID 159536685
8-(9-benzo[b]oxanthren-8-ylfluoren-9-yl)benzo[b]oxanthrene
CID 164928731
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-(6-methoxynaphthalen-2-yl)-9-[6-(2,3,5,6-tetrafluoro-4-methylphenoxy)naphthalen-2-yl]fluorene
CID 177082650
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
ethane;3'-hydroxy-6'-[6-[9-(6-sulfanyloxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxysulfanyloxyspiro[2-benzofuran-3,9'-xanthene]-1-one;propane
CID 171538265
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene] (CID 158360359) is 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene] is COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc2c(c1)Oc1cc(OC)ccc1C21c2ccccc2-c2ccccc21.COc1ccc2cc(C3(c4ccc5cc(OC)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]?
The InChIKey is GTJVEWXPDDMGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O2.C27H20O3.C27H22O2/c1-36-29-17-13-23-19-27(15-11-25(23)21-29)35(28-16-12-26-22-30(37-2)18-14-24(26)20-28)33-9-5-3-7-31(33)32-8-4-6-10-34(32)35;1-28-17-11-13-23-25(15-17)30-26-16-18(29-2)12-14-24(26)27(23)21-9-5-3-7-19(21)20-8-4-6-10-22(20)27;1-28-21-15-11-19(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/h3-22H,1-2H3;3-16H,1-2H3;3-18H,1-2H3.
What are the key properties of 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]?
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene] has a molecular weight of 1249.52 g/mol, XLogP of 20.61, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 158360359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).