4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione

C44H25F4NO2 — CID 58175055

IUPAC4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c2)C(=O)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C44H25F4NO2/c45-39-37-38(40(46)42(48)41(39)47)44(51)36(43(37)50)24-26-11-12-32-25-35(22-17-31(32)23-26)49(33-18-13-29(14-19-33)27-7-3-1-4-8-27)34-20-15-30(16-21-34)28-9-5-2-6-10-28/h1-25H
InChIKeyZTYXGWDSZNVQGP-UHFFFAOYSA-N
MW675.68 g/mol
LogP11.66
Rot. Bonds6

About 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione

4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione (PubChem CID 58175055) has the molecular formula C44H25F4NO2 and a molecular weight of 675.68 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
PubChem CID58175055
Molecular FormulaC44H25F4NO2
Molecular Weight675.68 g/mol
Exact Mass675.18
IUPAC Name4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c2)C(=O)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C44H25F4NO2/c45-39-37-38(40(46)42(48)41(39)47)44(51)36(43(37)50)24-26-11-12-32-25-35(22-17-31(32)23-26)49(33-18-13-29(14-19-33)27-7-3-1-4-8-27)34-20-15-30(16-21-34)28-9-5-2-6-10-28/h1-25H
InChIKeyZTYXGWDSZNVQGP-UHFFFAOYSA-N
XLogP11.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.68
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione?
The IUPAC name of 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione (CID 58175055) is 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione is O=C1C(=Cc2ccc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3c2)C(=O)c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione?
The InChIKey is ZTYXGWDSZNVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25F4NO2/c45-39-37-38(40(46)42(48)41(39)47)44(51)36(43(37)50)24-26-11-12-32-25-35(22-17-31(32)23-26)49(33-18-13-29(14-19-33)27-7-3-1-4-8-27)34-20-15-30(16-21-34)28-9-5-2-6-10-28/h1-25H.
What are the key properties of 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione?
4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione has a molecular weight of 675.68 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-2-[[6-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 58175055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).