2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol

C37H28N2O2 — CID 141049173

IUPAC2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
SMILESNc1c(O)cccc1-c1ccc(-c2ccc3c(c2-c2ccc(-c4cccc(O)c4N)cc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C37H28N2O2/c38-36-29(7-3-9-33(36)40)23-13-11-22(12-14-23)28-19-20-31-27-6-2-1-5-26(27)21-32(31)35(28)25-17-15-24(16-18-25)30-8-4-10-34(41)37(30)39/h1-20,40-41H,21,38-39H2
InChIKeyTXCANAVAHPDFAM-UHFFFAOYSA-N
MW532.64 g/mol
LogP8.50
Rot. Bonds4

About 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol

2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol (PubChem CID 141049173) has the molecular formula C37H28N2O2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol.

Molecular Properties

Compound Name2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
PubChem CID141049173
Molecular FormulaC37H28N2O2
Molecular Weight532.64 g/mol
Exact Mass532.22
IUPAC Name2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
SMILESNc1c(O)cccc1-c1ccc(-c2ccc3c(c2-c2ccc(-c4cccc(O)c4N)cc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C37H28N2O2/c38-36-29(7-3-9-33(36)40)23-13-11-22(12-14-23)28-19-20-31-27-6-2-1-5-26(27)21-32(31)35(28)25-17-15-24(16-18-25)30-8-4-10-34(41)37(30)39/h1-20,40-41H,21,38-39H2
InChIKeyTXCANAVAHPDFAM-UHFFFAOYSA-N
XLogP8.50
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 58.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
CID 150438083
3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
4-(2-bromo-9H-fluoren-1-yl)aniline
CID 175575602
4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
CID 18519384
1,2-bis[4-[2-(9H-fluoren-1-yl)-3-methylphenoxy]phenyl]-9H-fluorene
CID 172727658

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol?
The IUPAC name of 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol (CID 141049173) is 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol.
What is the SMILES notation for 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol?
The canonical SMILES for 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol is Nc1c(O)cccc1-c1ccc(-c2ccc3c(c2-c2ccc(-c4cccc(O)c4N)cc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol?
The InChIKey is TXCANAVAHPDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O2/c38-36-29(7-3-9-33(36)40)23-13-11-22(12-14-23)28-19-20-31-27-6-2-1-5-26(27)21-32(31)35(28)25-17-15-24(16-18-25)30-8-4-10-34(41)37(30)39/h1-20,40-41H,21,38-39H2.
What are the key properties of 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol?
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol has a molecular weight of 532.64 g/mol, XLogP of 8.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol is sourced from PubChem (CID 141049173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).