3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol

C37H28N2O4 — CID 22600957

IUPAC3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol
SMILESOc1cccc(N(c2cccc(O)c2)c2ccc3c(c2)Cc2cc(N(c4cccc(O)c4)c4cccc(O)c4)ccc2-3)c1
InChIInChI=1S/C37H28N2O4/c40-32-9-1-5-26(20-32)38(27-6-2-10-33(41)21-27)30-13-15-36-24(18-30)17-25-19-31(14-16-37(25)36)39(28-7-3-11-34(42)22-28)29-8-4-12-35(43)23-29/h1-16,18-23,40-43H,17H2
InChIKeyWDWVTSUZPMHULV-UHFFFAOYSA-N
MW564.64 g/mol
LogP9.02
Rot. Bonds6

About 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol

3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol (PubChem CID 22600957) has the molecular formula C37H28N2O4 and a molecular weight of 564.64 g/mol. Its IUPAC name is 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol.

Molecular Properties

Compound Name3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol
PubChem CID22600957
Molecular FormulaC37H28N2O4
Molecular Weight564.64 g/mol
Exact Mass564.20
IUPAC Name3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol
SMILESOc1cccc(N(c2cccc(O)c2)c2ccc3c(c2)Cc2cc(N(c4cccc(O)c4)c4cccc(O)c4)ccc2-3)c1
InChIInChI=1S/C37H28N2O4/c40-32-9-1-5-26(20-32)38(27-6-2-10-33(41)21-27)30-13-15-36-24(18-30)17-25-19-31(14-16-37(25)36)39(28-7-3-11-34(42)22-28)29-8-4-12-35(43)23-29/h1-16,18-23,40-43H,17H2
InChIKeyWDWVTSUZPMHULV-UHFFFAOYSA-N
XLogP9.02
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 59.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol?
The IUPAC name of 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol (CID 22600957) is 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol.
What is the SMILES notation for 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol?
The canonical SMILES for 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol is Oc1cccc(N(c2cccc(O)c2)c2ccc3c(c2)Cc2cc(N(c4cccc(O)c4)c4cccc(O)c4)ccc2-3)c1.
What is the InChIKey of 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol?
The InChIKey is WDWVTSUZPMHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O4/c40-32-9-1-5-26(20-32)38(27-6-2-10-33(41)21-27)30-13-15-36-24(18-30)17-25-19-31(14-16-37(25)36)39(28-7-3-11-34(42)22-28)29-8-4-12-35(43)23-29/h1-16,18-23,40-43H,17H2.
What are the key properties of 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol?
3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol has a molecular weight of 564.64 g/mol, XLogP of 9.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol is sourced from PubChem (CID 22600957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).