butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate

C74H78O8 — CID 143766876

IUPACbutane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate
SMILESC.C.CCCC.CCCOc1ccc(C2(c3ccc(OCCOC(=O)c4ccc(C=O)cc4)cc3)c3ccccc3-c3ccccc32)cc1.CCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H32O5.C30H28O3.C4H10.2CH4/c1-2-23-41-31-19-15-29(16-20-31)38(35-9-5-3-7-33(35)34-8-4-6-10-36(34)38)30-17-21-32(22-18-30)42-24-25-43-37(40)28-13-11-27(26-39)12-14-28;1-3-32-24-16-12-22(13-17-24)30(23-14-18-25(19-15-23)33-21-20-31-2)28-10-6-4-8-26(28)27-9-5-7-11-29(27)30;1-3-4-2;;/h3-22,26H,2,23-25H2,1H3;4-19H,3,20-21H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyOYYWEDYFSKUCME-UHFFFAOYSA-N
MW1095.43 g/mol
LogP17.44
Rot. Bonds20

About butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate

butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate (PubChem CID 143766876) has the molecular formula C74H78O8 and a molecular weight of 1095.43 g/mol. Its IUPAC name is butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate.

Molecular Properties

Compound Namebutane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate
PubChem CID143766876
Molecular FormulaC74H78O8
Molecular Weight1095.43 g/mol
Exact Mass1094.57
IUPAC Namebutane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate
SMILESC.C.CCCC.CCCOc1ccc(C2(c3ccc(OCCOC(=O)c4ccc(C=O)cc4)cc3)c3ccccc3-c3ccccc32)cc1.CCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H32O5.C30H28O3.C4H10.2CH4/c1-2-23-41-31-19-15-29(16-20-31)38(35-9-5-3-7-33(35)34-8-4-6-10-36(34)38)30-17-21-32(22-18-30)42-24-25-43-37(40)28-13-11-27(26-39)12-14-28;1-3-32-24-16-12-22(13-17-24)30(23-14-18-25(19-15-23)33-21-20-31-2)28-10-6-4-8-26(28)27-9-5-7-11-29(27)30;1-3-4-2;;/h3-22,26H,2,23-25H2,1H3;4-19H,3,20-21H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyOYYWEDYFSKUCME-UHFFFAOYSA-N
XLogP17.44
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.43
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate with MolForge

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Related Compounds

9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl benzoate;2-methoxyethyl benzoate;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(propan-2-one)
CID 159498540
2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane
CID 145231729
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
propyl 4-[(4-formylphenoxy)methyl]benzoate
CID 23411167
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
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
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540
1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate
CID 158901184

Frequently Asked Questions

What is the IUPAC name of butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate?
The IUPAC name of butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate (CID 143766876) is butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate.
What is the SMILES notation for butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate?
The canonical SMILES for butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate is C.C.CCCC.CCCOc1ccc(C2(c3ccc(OCCOC(=O)c4ccc(C=O)cc4)cc3)c3ccccc3-c3ccccc32)cc1.CCOc1ccc(C2(c3ccc(OCCOC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate?
The InChIKey is OYYWEDYFSKUCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O5.C30H28O3.C4H10.2CH4/c1-2-23-41-31-19-15-29(16-20-31)38(35-9-5-3-7-33(35)34-8-4-6-10-36(34)38)30-17-21-32(22-18-30)42-24-25-43-37(40)28-13-11-27(26-39)12-14-28;1-3-32-24-16-12-22(13-17-24)30(23-14-18-25(19-15-23)33-21-20-31-2)28-10-6-4-8-26(28)27-9-5-7-11-29(27)30;1-3-4-2;;/h3-22,26H,2,23-25H2,1H3;4-19H,3,20-21H2,1-2H3;3-4H2,1-2H3;2*1H4.
What are the key properties of butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate?
butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate has a molecular weight of 1095.43 g/mol, XLogP of 17.44, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate is sourced from PubChem (CID 143766876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).