N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine

C30H31N — CID 139964630

IUPACN-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine
SMILESCC(C)c1cccc(C(C)C)c1C(=Cc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C30H31N/c1-21(2)27-15-10-16-28(22(3)4)30(27)29(19-23-11-6-5-7-12-23)31-26-18-17-24-13-8-9-14-25(24)20-26/h5-22,31H,1-4H3
InChIKeyPALOVNJWLXAPHG-UHFFFAOYSA-N
MW405.59 g/mol
LogP8.70
Rot. Bonds6

About N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine

N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine (PubChem CID 139964630) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine
PubChem CID139964630
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC NameN-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine
SMILESCC(C)c1cccc(C(C)C)c1C(=Cc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C30H31N/c1-21(2)27-15-10-16-28(22(3)4)30(27)29(19-23-11-6-5-7-12-23)31-26-18-17-24-13-8-9-14-25(24)20-26/h5-22,31H,1-4H3
InChIKeyPALOVNJWLXAPHG-UHFFFAOYSA-N
XLogP8.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide
CID 122216332
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 51109404
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
N-[(Z)-3-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 19304765
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
1-methyl-3-naphthalen-2-ylurea
CID 3454681
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid
CID 740391

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine?
The IUPAC name of N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine (CID 139964630) is N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine?
The canonical SMILES for N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine is CC(C)c1cccc(C(C)C)c1C(=Cc1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine?
The InChIKey is PALOVNJWLXAPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-21(2)27-15-10-16-28(22(3)4)30(27)29(19-23-11-6-5-7-12-23)31-26-18-17-24-13-8-9-14-25(24)20-26/h5-22,31H,1-4H3.
What are the key properties of N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine?
N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine has a molecular weight of 405.59 g/mol, XLogP of 8.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine is sourced from PubChem (CID 139964630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).