azane;9-benzyl-1,2-diphenyl-9H-fluorene

C32H27N — CID 174569907

IUPACazane;9-benzyl-1,2-diphenyl-9H-fluorene
SMILESN.c1ccc(CC2c3ccccc3-c3ccc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C32H24.H3N/c1-4-12-23(13-5-1)22-30-28-19-11-10-18-27(28)29-21-20-26(24-14-6-2-7-15-24)31(32(29)30)25-16-8-3-9-17-25;/h1-21,30H,22H2;1H3
InChIKeyHRIVLNRTYZDTNC-UHFFFAOYSA-N
MW425.58 g/mol
LogP8.54
Rot. Bonds4

About azane;9-benzyl-1,2-diphenyl-9H-fluorene

azane;9-benzyl-1,2-diphenyl-9H-fluorene (PubChem CID 174569907) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is azane;9-benzyl-1,2-diphenyl-9H-fluorene.

Molecular Properties

Compound Nameazane;9-benzyl-1,2-diphenyl-9H-fluorene
PubChem CID174569907
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC Nameazane;9-benzyl-1,2-diphenyl-9H-fluorene
SMILESN.c1ccc(CC2c3ccccc3-c3ccc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C32H24.H3N/c1-4-12-23(13-5-1)22-30-28-19-11-10-18-27(28)29-21-20-26(24-14-6-2-7-15-24)31(32(29)30)25-16-8-3-9-17-25;/h1-21,30H,22H2;1H3
InChIKeyHRIVLNRTYZDTNC-UHFFFAOYSA-N
XLogP8.54
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;9-benzyl-1,2-diphenyl-9H-fluorene?
The IUPAC name of azane;9-benzyl-1,2-diphenyl-9H-fluorene (CID 174569907) is azane;9-benzyl-1,2-diphenyl-9H-fluorene.
What is the SMILES notation for azane;9-benzyl-1,2-diphenyl-9H-fluorene?
The canonical SMILES for azane;9-benzyl-1,2-diphenyl-9H-fluorene is N.c1ccc(CC2c3ccccc3-c3ccc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of azane;9-benzyl-1,2-diphenyl-9H-fluorene?
The InChIKey is HRIVLNRTYZDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24.H3N/c1-4-12-23(13-5-1)22-30-28-19-11-10-18-27(28)29-21-20-26(24-14-6-2-7-15-24)31(32(29)30)25-16-8-3-9-17-25;/h1-21,30H,22H2;1H3.
What are the key properties of azane;9-benzyl-1,2-diphenyl-9H-fluorene?
azane;9-benzyl-1,2-diphenyl-9H-fluorene has a molecular weight of 425.58 g/mol, XLogP of 8.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;9-benzyl-1,2-diphenyl-9H-fluorene is sourced from PubChem (CID 174569907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).