2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one

C73H82N2O5 — CID 171056031

IUPAC2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one
SMILESCCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C73H82N2O5/c1-5-9-13-17-49-77-65-39-31-61(32-40-65)74(62-33-41-66(42-34-62)78-50-18-14-10-6-2)59-27-21-55(22-28-59)57-25-47-69-70-48-26-58(54-72(70)73(76)71(69)53-57)56-23-29-60(30-24-56)75(63-35-43-67(44-36-63)79-51-19-15-11-7-3)64-37-45-68(46-38-64)80-52-20-16-12-8-4/h21-48,53-54H,5-20,49-52H2,1-4H3
InChIKeyYUQTXHCILUSTET-UHFFFAOYSA-N
MW1067.47 g/mol
LogP21.01
Rot. Bonds32

About 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one

2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one (PubChem CID 171056031) has the molecular formula C73H82N2O5 and a molecular weight of 1067.47 g/mol. Its IUPAC name is 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one
PubChem CID171056031
Molecular FormulaC73H82N2O5
Molecular Weight1067.47 g/mol
Exact Mass1066.62
IUPAC Name2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one
SMILESCCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C73H82N2O5/c1-5-9-13-17-49-77-65-39-31-61(32-40-65)74(62-33-41-66(42-34-62)78-50-18-14-10-6-2)59-27-21-55(22-28-59)57-25-47-69-70-48-26-58(54-72(70)73(76)71(69)53-57)56-23-29-60(30-24-56)75(63-35-43-67(44-36-63)79-51-19-15-11-7-3)64-37-45-68(46-38-64)80-52-20-16-12-8-4/h21-48,53-54H,5-20,49-52H2,1-4H3
InChIKeyYUQTXHCILUSTET-UHFFFAOYSA-N
XLogP21.01
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.47
LogP ≤ 521.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one with MolForge

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Related Compounds

2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one
CID 171056051
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
2-[2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-ylidene]-2-isocyanoacetonitrile
CID 171056174
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
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
2,4-bis(4-hexadecoxyphenyl)benzenethiol
CID 139838134
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one?
The IUPAC name of 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one (CID 171056031) is 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one is CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(N(c6ccc(OCCCCCC)cc6)c6ccc(OCCCCCC)cc6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one?
The InChIKey is YUQTXHCILUSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H82N2O5/c1-5-9-13-17-49-77-65-39-31-61(32-40-65)74(62-33-41-66(42-34-62)78-50-18-14-10-6-2)59-27-21-55(22-28-59)57-25-47-69-70-48-26-58(54-72(70)73(76)71(69)53-57)56-23-29-60(30-24-56)75(63-35-43-67(44-36-63)79-51-19-15-11-7-3)64-37-45-68(46-38-64)80-52-20-16-12-8-4/h21-48,53-54H,5-20,49-52H2,1-4H3.
What are the key properties of 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one?
2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one has a molecular weight of 1067.47 g/mol, XLogP of 21.01, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one is sourced from PubChem (CID 171056031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).