N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine

C34H31NO2 — CID 18999455

IUPACN,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine
SMILESCC(C)C1=Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2OC12C=Cc1ccccc1O2
InChIInChI=1S/C34H31NO2/c1-25(2)31-21-29-17-18-30(22-33(29)37-34(31)20-19-28-15-9-10-16-32(28)36-34)35(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-22,25H,23-24H2,1-2H3
InChIKeyWMEULFXUARHGIP-UHFFFAOYSA-N
MW485.63 g/mol
LogP8.13
Rot. Bonds6

About N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine

N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine (PubChem CID 18999455) has the molecular formula C34H31NO2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine
PubChem CID18999455
Molecular FormulaC34H31NO2
Molecular Weight485.63 g/mol
Exact Mass485.24
IUPAC NameN,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine
SMILESCC(C)C1=Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2OC12C=Cc1ccccc1O2
InChIInChI=1S/C34H31NO2/c1-25(2)31-21-29-17-18-30(22-33(29)37-34(31)20-19-28-15-9-10-16-32(28)36-34)35(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-22,25H,23-24H2,1-2H3
InChIKeyWMEULFXUARHGIP-UHFFFAOYSA-N
XLogP8.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine?
The IUPAC name of N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine (CID 18999455) is N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine.
What is the SMILES notation for N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine?
The canonical SMILES for N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine is CC(C)C1=Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2OC12C=Cc1ccccc1O2.
What is the InChIKey of N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine?
The InChIKey is WMEULFXUARHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO2/c1-25(2)31-21-29-17-18-30(22-33(29)37-34(31)20-19-28-15-9-10-16-32(28)36-34)35(23-26-11-5-3-6-12-26)24-27-13-7-4-8-14-27/h3-22,25H,23-24H2,1-2H3.
What are the key properties of N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine?
N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine has a molecular weight of 485.63 g/mol, XLogP of 8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3'-propan-2-yl-2,2'-spirobi[chromene]-7'-amine is sourced from PubChem (CID 18999455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).