2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one

C73H78N2O7 — CID 171056051

IUPAC2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one
SMILESCCCCCCOc1ccc2c(c1)Oc1cc(OCCCCCC)ccc1N2c1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(N5c6ccc(OCCCCCC)cc6Oc6cc(OCCCCCC)ccc65)cc4)ccc2-3)cc1
InChIInChI=1S/C73H78N2O7/c1-5-9-13-17-41-77-57-31-37-65-69(47-57)81-70-48-58(78-42-18-14-10-6-2)32-38-66(70)74(65)55-27-21-51(22-28-55)53-25-35-61-62-36-26-54(46-64(62)73(76)63(61)45-53)52-23-29-56(30-24-52)75-67-39-33-59(79-43-19-15-11-7-3)49-71(67)82-72-50-60(34-40-68(72)75)80-44-20-16-12-8-4/h21-40,45-50H,5-20,41-44H2,1-4H3
InChIKeyCMCSQCYPDAQKIY-UHFFFAOYSA-N
MW1095.43 g/mol
LogP21.22
Rot. Bonds28

About 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one

2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one (PubChem CID 171056051) has the molecular formula C73H78N2O7 and a molecular weight of 1095.43 g/mol. Its IUPAC name is 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one
PubChem CID171056051
Molecular FormulaC73H78N2O7
Molecular Weight1095.43 g/mol
Exact Mass1094.58
IUPAC Name2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one
SMILESCCCCCCOc1ccc2c(c1)Oc1cc(OCCCCCC)ccc1N2c1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(N5c6ccc(OCCCCCC)cc6Oc6cc(OCCCCCC)ccc65)cc4)ccc2-3)cc1
InChIInChI=1S/C73H78N2O7/c1-5-9-13-17-41-77-57-31-37-65-69(47-57)81-70-48-58(78-42-18-14-10-6-2)32-38-66(70)74(65)55-27-21-51(22-28-55)53-25-35-61-62-36-26-54(46-64(62)73(76)63(61)45-53)52-23-29-56(30-24-52)75-67-39-33-59(79-43-19-15-11-7-3)49-71(67)82-72-50-60(34-40-68(72)75)80-44-20-16-12-8-4/h21-40,45-50H,5-20,41-44H2,1-4H3
InChIKeyCMCSQCYPDAQKIY-UHFFFAOYSA-N
XLogP21.22
TPSA78.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.43
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one
CID 171056031
2-(4-hexoxyphenyl)-5-[2-(4-hexoxyphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 102095160
2-(4-octoxyphenyl)-5-[2-(4-octoxyphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 101452909
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
10-(4-octoxyphenyl)phenoxazine
CID 58274116
2-[5-[4-(3,6-dihexoxycarbazol-9-yl)phenyl]thiophen-2-yl]-7-[5-[4-(3-hexoxy-6-pentoxycarbazol-9-yl)phenyl]thiophen-2-yl]fluoren-9-one
CID 171056028
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
CID 58274115
3-methyl-10-(4-octoxyphenyl)-7-(2,3,7'-trimethyl-6,7-dioctoxy-9,9'-spirobi[fluorene]-2'-yl)phenoxazine
CID 58274125
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
2-octadecoxytetracene-5,12-dione
CID 19812763
6,13-bis(4-octoxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 122373774
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one?
The IUPAC name of 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one (CID 171056051) is 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one is CCCCCCOc1ccc2c(c1)Oc1cc(OCCCCCC)ccc1N2c1ccc(-c2ccc3c(c2)C(=O)c2cc(-c4ccc(N5c6ccc(OCCCCCC)cc6Oc6cc(OCCCCCC)ccc65)cc4)ccc2-3)cc1.
What is the InChIKey of 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one?
The InChIKey is CMCSQCYPDAQKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H78N2O7/c1-5-9-13-17-41-77-57-31-37-65-69(47-57)81-70-48-58(78-42-18-14-10-6-2)32-38-66(70)74(65)55-27-21-51(22-28-55)53-25-35-61-62-36-26-54(46-64(62)73(76)63(61)45-53)52-23-29-56(30-24-52)75-67-39-33-59(79-43-19-15-11-7-3)49-71(67)82-72-50-60(34-40-68(72)75)80-44-20-16-12-8-4/h21-40,45-50H,5-20,41-44H2,1-4H3.
What are the key properties of 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one?
2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one has a molecular weight of 1095.43 g/mol, XLogP of 21.22, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one is sourced from PubChem (CID 171056051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).