2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one

C38H33NO6 — CID 102457186

IUPAC2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(=O)c2cc(/C=C/c4cc(OC)c(OC)c(OC)c4)ccc2-3)cc1
InChIInChI=1S/C38H33NO6/c1-41-29-14-9-26(10-15-29)39(27-11-16-30(42-2)17-12-27)28-13-19-32-31-18-8-24(20-33(31)37(40)34(32)23-28)6-7-25-21-35(43-3)38(45-5)36(22-25)44-4/h6-23H,1-5H3/b7-6+
InChIKeyBLDYIJMTYSPANN-VOTSOKGWSA-N
MW599.68 g/mol
LogP8.58
Rot. Bonds10

About 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one

2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one (PubChem CID 102457186) has the molecular formula C38H33NO6 and a molecular weight of 599.68 g/mol. Its IUPAC name is 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one.

Molecular Properties

Compound Name2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one
PubChem CID102457186
Molecular FormulaC38H33NO6
Molecular Weight599.68 g/mol
Exact Mass599.23
IUPAC Name2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(=O)c2cc(/C=C/c4cc(OC)c(OC)c(OC)c4)ccc2-3)cc1
InChIInChI=1S/C38H33NO6/c1-41-29-14-9-26(10-15-29)39(27-11-16-30(42-2)17-12-27)28-13-19-32-31-18-8-24(20-33(31)37(40)34(32)23-28)6-7-25-21-35(43-3)38(45-5)36(22-25)44-4/h6-23H,1-5H3/b7-6+
InChIKeyBLDYIJMTYSPANN-VOTSOKGWSA-N
XLogP8.58
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.68
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,5-dimethoxyphenyl)ethenyl]-N-[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]aniline
CID 77387181
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
N-(4-methoxyphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-methoxyphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246029
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 10898275
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one?
The IUPAC name of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one (CID 102457186) is 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one.
What is the SMILES notation for 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one?
The canonical SMILES for 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(=O)c2cc(/C=C/c4cc(OC)c(OC)c(OC)c4)ccc2-3)cc1.
What is the InChIKey of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one?
The InChIKey is BLDYIJMTYSPANN-VOTSOKGWSA-N. The full InChI is InChI=1S/C38H33NO6/c1-41-29-14-9-26(10-15-29)39(27-11-16-30(42-2)17-12-27)28-13-19-32-31-18-8-24(20-33(31)37(40)34(32)23-28)6-7-25-21-35(43-3)38(45-5)36(22-25)44-4/h6-23H,1-5H3/b7-6+.
What are the key properties of 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one?
2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one has a molecular weight of 599.68 g/mol, XLogP of 8.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(4-methoxyphenyl)anilino)-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]fluoren-9-one is sourced from PubChem (CID 102457186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).