4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol

C32H25NO — CID 174729644

IUPAC4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol
SMILESOc1c(-c2ccccc2)c2c(c(NCc3ccccc3)c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C32H25NO/c34-32-28(23-14-6-2-7-15-23)27-20-25-18-10-11-19-26(25)30(27)31(29(32)24-16-8-3-9-17-24)33-21-22-12-4-1-5-13-22/h1-19,33-34H,20-21H2
InChIKeyBPLKIGWQMDSKAK-UHFFFAOYSA-N
MW439.56 g/mol
LogP7.91
Rot. Bonds5

About 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol

4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol (PubChem CID 174729644) has the molecular formula C32H25NO and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol.

Molecular Properties

Compound Name4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol
PubChem CID174729644
Molecular FormulaC32H25NO
Molecular Weight439.56 g/mol
Exact Mass439.19
IUPAC Name4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol
SMILESOc1c(-c2ccccc2)c2c(c(NCc3ccccc3)c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C32H25NO/c34-32-28(23-14-6-2-7-15-23)27-20-25-18-10-11-19-26(25)30(27)31(29(32)24-16-8-3-9-17-24)33-21-22-12-4-1-5-13-22/h1-19,33-34H,20-21H2
InChIKeyBPLKIGWQMDSKAK-UHFFFAOYSA-N
XLogP7.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol?
The IUPAC name of 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol (CID 174729644) is 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol.
What is the SMILES notation for 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol?
The canonical SMILES for 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol is Oc1c(-c2ccccc2)c2c(c(NCc3ccccc3)c1-c1ccccc1)-c1ccccc1C2.
What is the InChIKey of 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol?
The InChIKey is BPLKIGWQMDSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO/c34-32-28(23-14-6-2-7-15-23)27-20-25-18-10-11-19-26(25)30(27)31(29(32)24-16-8-3-9-17-24)33-21-22-12-4-1-5-13-22/h1-19,33-34H,20-21H2.
What are the key properties of 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol?
4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol has a molecular weight of 439.56 g/mol, XLogP of 7.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1,3-diphenyl-9H-fluoren-2-ol is sourced from PubChem (CID 174729644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).